N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C27H25ClFN9O2 — CID 139487839

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CC5(COC5)C4)c3n2)nn1
InChIInChI=1S/C27H25ClFN9O2/c28-19-3-4-35-15-31-20(24(35)23(19)29)6-30-26(39)21-10-38(34-33-21)9-18-8-36-7-17(16-1-2-16)5-22(25(36)32-18)37-11-27(12-37)13-40-14-27/h3-5,7-8,10,15-16H,1-2,6,9,11-14H2,(H,30,39)
InChIKeyAWWPNDXFOZUTGX-UHFFFAOYSA-N
MW562.01 g/mol
LogP3.06
Rot. Bonds7

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487839) has the molecular formula C27H25ClFN9O2 and a molecular weight of 562.01 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139487839
Molecular FormulaC27H25ClFN9O2
Molecular Weight562.01 g/mol
Exact Mass561.18
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CC5(COC5)C4)c3n2)nn1
InChIInChI=1S/C27H25ClFN9O2/c28-19-3-4-35-15-31-20(24(35)23(19)29)6-30-26(39)21-10-38(34-33-21)9-18-8-36-7-17(16-1-2-16)5-22(25(36)32-18)37-11-27(12-37)13-40-14-27/h3-5,7-8,10,15-16H,1-2,6,9,11-14H2,(H,30,39)
InChIKeyAWWPNDXFOZUTGX-UHFFFAOYSA-N
XLogP3.06
TPSA106.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.01
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]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-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487839) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CC5(COC5)C4)c3n2)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is AWWPNDXFOZUTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN9O2/c28-19-3-4-35-15-31-20(24(35)23(19)29)6-30-26(39)21-10-38(34-33-21)9-18-8-36-7-17(16-1-2-16)5-22(25(36)32-18)37-11-27(12-37)13-40-14-27/h3-5,7-8,10,15-16H,1-2,6,9,11-14H2,(H,30,39).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 562.01 g/mol, XLogP of 3.06, 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-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).