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

C27H22ClFN10O2 — CID 139490740

IUPAC1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid
SMILESC=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-n4cc(C(=O)O)cn4)c3n2)nn1
InChIInChI=1S/C27H22ClFN10O2/c1-15(30-8-21-25-24(29)20(28)4-5-36(25)14-31-21)22-13-38(35-34-22)12-19-11-37-9-17(16-2-3-16)6-23(26(37)33-19)39-10-18(7-32-39)27(40)41/h4-7,9-11,13-14,16,30H,1-3,8,12H2,(H,40,41)
InChIKeyGFTGUVAQFZONEW-UHFFFAOYSA-N
MW572.99 g/mol
LogP3.94
Rot. Bonds9

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

1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid (PubChem CID 139490740) has the molecular formula C27H22ClFN10O2 and a molecular weight of 572.99 g/mol. Its IUPAC name is 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid
PubChem CID139490740
Molecular FormulaC27H22ClFN10O2
Molecular Weight572.99 g/mol
Exact Mass572.16
IUPAC Name1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid
SMILESC=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-n4cc(C(=O)O)cn4)c3n2)nn1
InChIInChI=1S/C27H22ClFN10O2/c1-15(30-8-21-25-24(29)20(28)4-5-36(25)14-31-21)22-13-38(35-34-22)12-19-11-37-9-17(16-2-3-16)6-23(26(37)33-19)39-10-18(7-32-39)27(40)41/h4-7,9-11,13-14,16,30H,1-3,8,12H2,(H,40,41)
InChIKeyGFTGUVAQFZONEW-UHFFFAOYSA-N
XLogP3.94
TPSA132.46 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.99
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid (CID 139490740) is 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]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-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid is C=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-n4cc(C(=O)O)cn4)c3n2)nn1.
What is the InChIKey of 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid?
The InChIKey is GFTGUVAQFZONEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN10O2/c1-15(30-8-21-25-24(29)20(28)4-5-36(25)14-31-21)22-13-38(35-34-22)12-19-11-37-9-17(16-2-3-16)6-23(26(37)33-19)39-10-18(7-32-39)27(40)41/h4-7,9-11,13-14,16,30H,1-3,8,12H2,(H,40,41).
What are the key properties of 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid?
1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid has a molecular weight of 572.99 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 139490740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).