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]methyl]pyrazole-3-carboxylic acid

C27H22ClFN10O3 — CID 139487833

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]methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(Cc2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)n1
InChIInChI=1S/C27H22ClFN10O3/c28-19-3-5-36-14-31-21(24(36)23(19)29)8-30-26(40)22-13-39(35-33-22)12-18-11-37-9-16(15-1-2-15)7-17(25(37)32-18)10-38-6-4-20(34-38)27(41)42/h3-7,9,11,13-15H,1-2,8,10,12H2,(H,30,40)(H,41,42)
InChIKeyZYNAUKGFRGLNQG-UHFFFAOYSA-N
MW588.99 g/mol
LogP3.16
Rot. Bonds9

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]methyl]pyrazole-3-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]methyl]pyrazole-3-carboxylic acid (PubChem CID 139487833) has the molecular formula C27H22ClFN10O3 and a molecular weight of 588.99 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]methyl]pyrazole-3-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]methyl]pyrazole-3-carboxylic acid
PubChem CID139487833
Molecular FormulaC27H22ClFN10O3
Molecular Weight588.99 g/mol
Exact Mass588.15
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]methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(Cc2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)n1
InChIInChI=1S/C27H22ClFN10O3/c28-19-3-5-36-14-31-21(24(36)23(19)29)8-30-26(40)22-13-39(35-33-22)12-18-11-37-9-16(15-1-2-15)7-17(25(37)32-18)10-38-6-4-20(34-38)27(41)42/h3-7,9,11,13-15H,1-2,8,10,12H2,(H,30,40)(H,41,42)
InChIKeyZYNAUKGFRGLNQG-UHFFFAOYSA-N
XLogP3.16
TPSA149.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.99
LogP ≤ 53.16
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]methyl]pyrazole-3-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]methyl]pyrazole-3-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]methyl]pyrazole-3-carboxylic acid (CID 139487833) 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]methyl]pyrazole-3-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]methyl]pyrazole-3-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]methyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(Cc2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)n1.
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]methyl]pyrazole-3-carboxylic acid?
The InChIKey is ZYNAUKGFRGLNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN10O3/c28-19-3-5-36-14-31-21(24(36)23(19)29)8-30-26(40)22-13-39(35-33-22)12-18-11-37-9-16(15-1-2-15)7-17(25(37)32-18)10-38-6-4-20(34-38)27(41)42/h3-7,9,11,13-15H,1-2,8,10,12H2,(H,30,40)(H,41,42).
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]methyl]pyrazole-3-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]methyl]pyrazole-3-carboxylic acid has a molecular weight of 588.99 g/mol, XLogP of 3.16, 9 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]methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 139487833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).