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

C24H19ClFN7O3 — CID 139487725

IUPAC4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)c(C(=O)O)n1
InChIInChI=1S/C24H19ClFN7O3/c25-16-5-6-31-12-28-17(21(31)20(16)26)7-27-23(34)18-11-33(22(30-18)24(35)36)10-15-9-32-8-14(13-1-2-13)3-4-19(32)29-15/h3-6,8-9,11-13H,1-2,7,10H2,(H,27,34)(H,35,36)
InChIKeyQRIAWBAEIRHTDP-UHFFFAOYSA-N
MW507.91 g/mol
LogP3.52
Rot. Bonds7

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

4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid (PubChem CID 139487725) has the molecular formula C24H19ClFN7O3 and a molecular weight of 507.91 g/mol. Its IUPAC name is 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid
PubChem CID139487725
Molecular FormulaC24H19ClFN7O3
Molecular Weight507.91 g/mol
Exact Mass507.12
IUPAC Name4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)c(C(=O)O)n1
InChIInChI=1S/C24H19ClFN7O3/c25-16-5-6-31-12-28-17(21(31)20(16)26)7-27-23(34)18-11-33(22(30-18)24(35)36)10-15-9-32-8-14(13-1-2-13)3-4-19(32)29-15/h3-6,8-9,11-13H,1-2,7,10H2,(H,27,34)(H,35,36)
InChIKeyQRIAWBAEIRHTDP-UHFFFAOYSA-N
XLogP3.52
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.91
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid?
The IUPAC name of 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid (CID 139487725) is 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid.
What is the SMILES notation for 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid?
The canonical SMILES for 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)c(C(=O)O)n1.
What is the InChIKey of 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid?
The InChIKey is QRIAWBAEIRHTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN7O3/c25-16-5-6-31-12-28-17(21(31)20(16)26)7-27-23(34)18-11-33(22(30-18)24(35)36)10-15-9-32-8-14(13-1-2-13)3-4-19(32)29-15/h3-6,8-9,11-13H,1-2,7,10H2,(H,27,34)(H,35,36).
What are the key properties of 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid?
4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid has a molecular weight of 507.91 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 139487725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).