3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one

C24H18ClF4N7O — CID 157298741

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one (PubChem CID 157298741) has the molecular formula C24H18ClF4N7O and a molecular weight of 531.90 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
• PubChem CID: 157298741
• Molecular Formula: C24H18ClF4N7O
• Molecular Weight: 531.90 g/mol
• Exact Mass: 531.12
• IUPAC Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
• SMILES: O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1
• InChI: InChI=1S/C24H18ClF4N7O/c25-17-5-6-34-12-30-18(23(34)22(17)26)3-4-20(37)19-11-35(33-31-19)10-15-9-16-7-14(13-1-2-13)8-21(24(27,28)29)36(16)32-15/h5-9,11-13H,1-4,10H2
• InChIKey: ZKTNOMAFJKHHBO-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 82.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.90
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one?

The IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one (CID 157298741) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one.

What is the SMILES notation for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one?

The canonical SMILES for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1.

What is the InChIKey of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one?

The InChIKey is ZKTNOMAFJKHHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4N7O/c25-17-5-6-34-12-30-18(23(34)22(17)26)3-4-20(37)19-11-35(33-31-19)10-15-9-16-7-14(13-1-2-13)8-21(24(27,28)29)36(16)32-15/h5-9,11-13H,1-4,10H2.

What are the key properties of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one?

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one has a molecular weight of 531.90 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one is sourced from PubChem (CID 157298741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).