5FR

4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide

Created:2008-06-16
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count0
Bond Count79
Aromatic Bond Count23
2D diagram of 5FR

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Chemical Component Summary

Name4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide
Synonyms4-{1-[3-(2-carbamoyl-ethyl)-5-chloro-phenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-ylamino}-3-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide
Systematic Name (OpenEye OEToolkits)4-[[1-[3-(3-amino-3-oxo-propyl)-5-chloro-phenyl]-3-methyl-pyrazolo[5,4-d]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
FormulaC30 H34 Cl N7 O3
Molecular Weight576.089
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)CCc1cc(cc(Cl)c1)n5nc(c2c5cc(nc2)Nc4ccc(C(=O)NC3CCN(C)CC3)cc4OC)C
SMILESCACTVS3.341COc1cc(ccc1Nc2cc3n(nc(C)c3cn2)c4cc(Cl)cc(CCC(N)=O)c4)C(=O)NC5CCN(C)CC5
SMILESOpenEye OEToolkits1.5.0Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C
Canonical SMILESCACTVS3.341 COc1cc(ccc1Nc2cc3n(nc(C)c3cn2)c4cc(Cl)cc(CCC(N)=O)c4)C(=O)NC5CCN(C)CC5
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C
InChIInChI1.03 InChI=1S/C30H34ClN7O3/c1-18-24-17-33-29(16-26(24)38(36-18)23-13-19(4-7-28(32)39)12-21(31)15-23)35-25-6-5-20(14-27(25)41-3)30(40)34-22-8-10-37(2)11-9-22/h5-6,12-17,22H,4,7-11H2,1-3H3,(H2,32,39)(H,33,35)(H,34,40)
InChIKeyInChI1.03 NRECIWMNKXRLNI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 24941252