N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C25H22ClFN8O2 — CID 139488361

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(C4COC4)c3n2)nn1
InChIInChI=1S/C25H22ClFN8O2/c26-19-3-4-33-13-29-20(23(33)22(19)27)6-28-25(36)21-10-35(32-31-21)9-17-8-34-7-15(14-1-2-14)5-18(24(34)30-17)16-11-37-12-16/h3-5,7-8,10,13-14,16H,1-2,6,9,11-12H2,(H,28,36)
InChIKeyFXUKFZIQXJUNHW-UHFFFAOYSA-N
MW520.96 g/mol
LogP3.34
Rot. Bonds7

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139488361) has the molecular formula C25H22ClFN8O2 and a molecular weight of 520.96 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139488361
Molecular FormulaC25H22ClFN8O2
Molecular Weight520.96 g/mol
Exact Mass520.15
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(C4COC4)c3n2)nn1
InChIInChI=1S/C25H22ClFN8O2/c26-19-3-4-33-13-29-20(23(33)22(19)27)6-28-25(36)21-10-35(32-31-21)9-17-8-34-7-15(14-1-2-14)5-18(24(34)30-17)16-11-37-12-16/h3-5,7-8,10,13-14,16H,1-2,6,9,11-12H2,(H,28,36)
InChIKeyFXUKFZIQXJUNHW-UHFFFAOYSA-N
XLogP3.34
TPSA103.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.96
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139488361) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-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-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(C4COC4)c3n2)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is FXUKFZIQXJUNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN8O2/c26-19-3-4-33-13-29-20(23(33)22(19)27)6-28-25(36)21-10-35(32-31-21)9-17-8-34-7-15(14-1-2-14)5-18(24(34)30-17)16-11-37-12-16/h3-5,7-8,10,13-14,16H,1-2,6,9,11-12H2,(H,28,36).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 520.96 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139488361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).