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]pyrazole-4-carboxylic acid

C26H20ClFN10O3 — CID 139487654

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]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)c1
InChIInChI=1S/C26H20ClFN10O3/c27-18-3-4-35-13-30-19(23(35)22(18)28)7-29-25(39)20-12-37(34-33-20)11-17-10-36-8-15(14-1-2-14)5-21(24(36)32-17)38-9-16(6-31-38)26(40)41/h3-6,8-10,12-14H,1-2,7,11H2,(H,29,39)(H,40,41)
InChIKeyOOLFMSUVCWWWRI-UHFFFAOYSA-N
MW574.96 g/mol
LogP3.11
Rot. Bonds8

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]pyrazole-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]pyrazole-4-carboxylic acid (PubChem CID 139487654) 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]pyrazole-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]pyrazole-4-carboxylic acid
PubChem CID139487654
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]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)c1
InChIInChI=1S/C26H20ClFN10O3/c27-18-3-4-35-13-30-19(23(35)22(18)28)7-29-25(39)20-12-37(34-33-20)11-17-10-36-8-15(14-1-2-14)5-21(24(36)32-17)38-9-16(6-31-38)26(40)41/h3-6,8-10,12-14H,1-2,7,11H2,(H,29,39)(H,40,41)
InChIKeyOOLFMSUVCWWWRI-UHFFFAOYSA-N
XLogP3.11
TPSA149.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.96
LogP ≤ 53.11
H-Bond Donors ≤ 52
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]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]pyrazole-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]pyrazole-4-carboxylic acid (CID 139487654) 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]pyrazole-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]pyrazole-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]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)c1.
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]pyrazole-4-carboxylic acid?
The InChIKey is OOLFMSUVCWWWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN10O3/c27-18-3-4-35-13-30-19(23(35)22(18)28)7-29-25(39)20-12-37(34-33-20)11-17-10-36-8-15(14-1-2-14)5-21(24(36)32-17)38-9-16(6-31-38)26(40)41/h3-6,8-10,12-14H,1-2,7,11H2,(H,29,39)(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]pyrazole-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]pyrazole-4-carboxylic acid has a molecular weight of 574.96 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 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]pyrazole-4-carboxylic acid is sourced from PubChem (CID 139487654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).