GHF

N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide

Created:2022-05-09
Last modified:  2022-07-06

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count1
Bond Count64
Aromatic Bond Count21
2D diagram of GHF

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Chemical Component Summary

NameN-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1~{S})-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide
FormulaC26 H25 F N4 O4
Molecular Weight476.5
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1ccn2c(cc(C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)[CH](C)O)c2c1)C(C)=O
SMILESOpenEye OEToolkits2.0.7CC(c1cc(c(c(c1)NC(=O)c2cc(n3c2cc(cc3)OC)C(=O)C)F)c4cnn(c4)C5CC5)O
Canonical SMILESCACTVS3.385 COc1ccn2c(cc(C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)[C@H](C)O)c2c1)C(C)=O
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H](c1cc(c(c(c1)NC(=O)c2cc(n3c2cc(cc3)OC)C(=O)C)F)c4cnn(c4)C5CC5)O
InChIInChI1.03 InChI=1S/C26H25FN4O4/c1-14(32)16-8-20(17-12-28-31(13-17)18-4-5-18)25(27)22(9-16)29-26(34)21-11-23(15(2)33)30-7-6-19(35-3)10-24(21)30/h6-14,18,32H,4-5H2,1-3H3,(H,29,34)/t14-/m0/s1
InChIKeyInChI1.03 KKCORLIQMAQULG-AWEZNQCLSA-N

Related Resource References

Resource NameReference
PubChem 164513528