3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one

C24H19ClFN11O — CID 158929165

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one (PubChem CID 158929165) has the molecular formula C24H19ClFN11O and a molecular weight of 531.94 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-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-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
• PubChem CID: 158929165
• Molecular Formula: C24H19ClFN11O
• Molecular Weight: 531.94 g/mol
• Exact Mass: 531.14
• IUPAC Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
• SMILES: O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-c4nn[nH]n4)c3n2)nn1
• InChI: InChI=1S/C24H19ClFN11O/c25-17-5-6-35-12-27-18(22(35)21(17)26)3-4-20(38)19-11-37(34-29-19)10-15-9-36-8-14(13-1-2-13)7-16(24(36)28-15)23-30-32-33-31-23/h5-9,11-13H,1-4,10H2,(H,30,31,32,33)
• InChIKey: CXAPOQVHTJSUJS-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 136.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.94
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-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-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one (CID 158929165) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-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-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-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-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-c4nn[nH]n4)c3n2)nn1.

What is the InChIKey of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one?

The InChIKey is CXAPOQVHTJSUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN11O/c25-17-5-6-35-12-27-18(22(35)21(17)26)3-4-20(38)19-11-37(34-29-19)10-15-9-36-8-14(13-1-2-13)7-16(24(36)28-15)23-30-32-33-31-23/h5-9,11-13H,1-4,10H2,(H,30,31,32,33).

What are the key properties of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one?

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one has a molecular weight of 531.94 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 11 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-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one is sourced from PubChem (CID 158929165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).