6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide

C25H20ClFN8O2 — CID 155624281

IUPAC6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide
SMILESNC(=O)c1nc2ccc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)cc2cc1C1CC1
InChIInChI=1S/C25H20ClFN8O2/c26-17-5-6-34-12-30-19(23(34)21(17)27)9-29-25(37)20-11-35(33-32-20)10-13-1-4-18-15(7-13)8-16(14-2-3-14)22(31-18)24(28)36/h1,4-8,11-12,14H,2-3,9-10H2,(H2,28,36)(H,29,37)
InChIKeyWBJKOBROUDFMII-UHFFFAOYSA-N
MW518.94 g/mol
LogP3.22
Rot. Bonds7

About 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide

6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide (PubChem CID 155624281) has the molecular formula C25H20ClFN8O2 and a molecular weight of 518.94 g/mol. Its IUPAC name is 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide.

Molecular Properties

Compound Name6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide
PubChem CID155624281
Molecular FormulaC25H20ClFN8O2
Molecular Weight518.94 g/mol
Exact Mass518.14
IUPAC Name6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide
SMILESNC(=O)c1nc2ccc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)cc2cc1C1CC1
InChIInChI=1S/C25H20ClFN8O2/c26-17-5-6-34-12-30-19(23(34)21(17)27)9-29-25(37)20-11-35(33-32-20)10-13-1-4-18-15(7-13)8-16(14-2-3-14)22(31-18)24(28)36/h1,4-8,11-12,14H,2-3,9-10H2,(H2,28,36)(H,29,37)
InChIKeyWBJKOBROUDFMII-UHFFFAOYSA-N
XLogP3.22
TPSA133.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.94
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87381292
6-chloro-2-ethyl-N-[(1-methylindol-5-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234936
6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009989
6-chloro-2-ethyl-N-[[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009991
5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 169551944
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide
CID 139487324
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 139487399
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139487409
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139487440
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(difluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 139487442
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139487642
1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
CID 139487674

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide?
The IUPAC name of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide (CID 155624281) is 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide.
What is the SMILES notation for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide?
The canonical SMILES for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide is NC(=O)c1nc2ccc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)cc2cc1C1CC1.
What is the InChIKey of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide?
The InChIKey is WBJKOBROUDFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN8O2/c26-17-5-6-34-12-30-19(23(34)21(17)27)9-29-25(37)20-11-35(33-32-20)10-13-1-4-18-15(7-13)8-16(14-2-3-14)22(31-18)24(28)36/h1,4-8,11-12,14H,2-3,9-10H2,(H2,28,36)(H,29,37).
What are the key properties of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide?
6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide has a molecular weight of 518.94 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-2-carboxamide is sourced from PubChem (CID 155624281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).