1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid

C26H20ClFN10O3 — CID 139487558

IUPAC1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid
SMILESCN(C(=O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnc(C(=O)O)c4)c3n2)nn1)c1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C26H20ClFN10O3/c1-34(24-22-21(28)17(27)4-5-35(22)13-30-24)25(39)18-11-38(33-32-18)9-16-8-36-7-15(14-2-3-14)6-20(23(36)31-16)37-10-19(26(40)41)29-12-37/h4-8,10-14H,2-3,9H2,1H3,(H,40,41)
InChIKeyLVVUIJFZGPCPPD-UHFFFAOYSA-N
MW574.96 g/mol
LogP3.45
Rot. Bonds7

About 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid

1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid (PubChem CID 139487558) has the molecular formula C26H20ClFN10O3 and a molecular weight of 574.96 g/mol. Its IUPAC name is 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid
PubChem CID139487558
Molecular FormulaC26H20ClFN10O3
Molecular Weight574.96 g/mol
Exact Mass574.14
IUPAC Name1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid
SMILESCN(C(=O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnc(C(=O)O)c4)c3n2)nn1)c1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C26H20ClFN10O3/c1-34(24-22-21(28)17(27)4-5-35(22)13-30-24)25(39)18-11-38(33-32-18)9-16-8-36-7-15(14-2-3-14)6-20(23(36)31-16)37-10-19(26(40)41)29-12-37/h4-8,10-14H,2-3,9H2,1H3,(H,40,41)
InChIKeyLVVUIJFZGPCPPD-UHFFFAOYSA-N
XLogP3.45
TPSA140.74 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.96
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid (CID 139487558) is 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid is CN(C(=O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnc(C(=O)O)c4)c3n2)nn1)c1ncn2ccc(Cl)c(F)c12.
What is the InChIKey of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid?
The InChIKey is LVVUIJFZGPCPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN10O3/c1-34(24-22-21(28)17(27)4-5-35(22)13-30-24)25(39)18-11-38(33-32-18)9-16-8-36-7-15(14-2-3-14)6-20(23(36)31-16)37-10-19(26(40)41)29-12-37/h4-8,10-14H,2-3,9H2,1H3,(H,40,41).
What are the key properties of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid?
1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid has a molecular weight of 574.96 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid is sourced from PubChem (CID 139487558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).