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

C27H24ClFN8O3 — CID 155883678

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide
SMILESCC(c1cn2cc(C3CC3)cc(C3CCC(=O)O3)c2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1
InChIInChI=1S/C27H24ClFN8O3/c1-14(20-11-36-10-16(15-2-3-15)8-17(26(36)32-20)22-4-5-23(38)40-22)37-12-21(33-34-37)27(39)30-9-19-25-24(29)18(28)6-7-35(25)13-31-19/h6-8,10-15,22H,2-5,9H2,1H3,(H,30,39)
InChIKeyOCIUAWLYQAJILI-UHFFFAOYSA-N
MW562.99 g/mol
LogP4.16
Rot. Bonds7

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 155883678) has the molecular formula C27H24ClFN8O3 and a molecular weight of 562.99 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide
PubChem CID155883678
Molecular FormulaC27H24ClFN8O3
Molecular Weight562.99 g/mol
Exact Mass562.16
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide
SMILESCC(c1cn2cc(C3CC3)cc(C3CCC(=O)O3)c2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1
InChIInChI=1S/C27H24ClFN8O3/c1-14(20-11-36-10-16(15-2-3-15)8-17(26(36)32-20)22-4-5-23(38)40-22)37-12-21(33-34-37)27(39)30-9-19-25-24(29)18(28)6-7-35(25)13-31-19/h6-8,10-15,22H,2-5,9H2,1H3,(H,30,39)
InChIKeyOCIUAWLYQAJILI-UHFFFAOYSA-N
XLogP4.16
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.99
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide with MolForge

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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-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide (CID 155883678) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide is CC(c1cn2cc(C3CC3)cc(C3CCC(=O)O3)c2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide?
The InChIKey is OCIUAWLYQAJILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN8O3/c1-14(20-11-36-10-16(15-2-3-15)8-17(26(36)32-20)22-4-5-23(38)40-22)37-12-21(33-34-37)27(39)30-9-19-25-24(29)18(28)6-7-35(25)13-31-19/h6-8,10-15,22H,2-5,9H2,1H3,(H,30,39).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 562.99 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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-[1-[6-cyclopropyl-8-(5-oxooxolan-2-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 155883678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).