N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide

C24H18ClF4N7O — CID 139487759

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2[nH]c3ccc(C4CC4)cc3c2C(F)(F)F)nn1
InChIInChI=1S/C24H18ClF4N7O/c25-15-5-6-35-11-31-17(22(35)21(15)26)8-30-23(37)19-10-36(34-33-19)9-18-20(24(27,28)29)14-7-13(12-1-2-12)3-4-16(14)32-18/h3-7,10-12,32H,1-2,8-9H2,(H,30,37)
InChIKeyKTGRBLHYUSEPRF-UHFFFAOYSA-N
MW531.90 g/mol
LogP5.07
Rot. Bonds6

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487759) has the molecular formula C24H18ClF4N7O and a molecular weight of 531.90 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide
PubChem CID139487759
Molecular FormulaC24H18ClF4N7O
Molecular Weight531.90 g/mol
Exact Mass531.12
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2[nH]c3ccc(C4CC4)cc3c2C(F)(F)F)nn1
InChIInChI=1S/C24H18ClF4N7O/c25-15-5-6-35-11-31-17(22(35)21(15)26)8-30-23(37)19-10-36(34-33-19)9-18-20(24(27,28)29)14-7-13(12-1-2-12)3-4-16(14)32-18/h3-7,10-12,32H,1-2,8-9H2,(H,30,37)
InChIKeyKTGRBLHYUSEPRF-UHFFFAOYSA-N
XLogP5.07
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.90
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide (CID 139487759) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2[nH]c3ccc(C4CC4)cc3c2C(F)(F)F)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is KTGRBLHYUSEPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4N7O/c25-15-5-6-35-11-31-17(22(35)21(15)26)8-30-23(37)19-10-36(34-33-19)9-18-20(24(27,28)29)14-7-13(12-1-2-12)3-4-16(14)32-18/h3-7,10-12,32H,1-2,8-9H2,(H,30,37).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 531.90 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[5-cyclopropyl-3-(trifluoromethyl)-1H-indol-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).