C72

2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide

Created:2010-12-01
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count1
Bond Count48
Aromatic Bond Count17
2D diagram of C72

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Chemical Component Summary

Name2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide
Systematic Name (OpenEye OEToolkits)2-(4-chlorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
FormulaC19 H19 Cl N4 O S
Molecular Weight386.898
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc4ccc(c2sc1c(cnc(c1c2)NC3CCCNC3)C(=O)N)cc4
SMILESCACTVS3.370NC(=O)c1cnc(N[CH]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1c2cc3c(s2)c(cnc3NC4CCCNC4)C(=O)N)Cl
Canonical SMILESCACTVS3.370 NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl
InChIInChI1.03 InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/m0/s1
InChIKeyInChI1.03 QTBPGDBHORPJSA-ZDUSSCGKSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1231626
PubChem 44133237
ChEMBL CHEMBL1231626