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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

C47H37Cl2F8N15O3 — CID 157298740

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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 157298740) has the molecular formula C47H37Cl2F8N15O3 and a molecular weight of 1082.80 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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
• PubChem CID: 157298740
• Molecular Formula: C47H37Cl2F8N15O3
• Molecular Weight: 1082.80 g/mol
• Exact Mass: 1081.25
• 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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
• SMILES: NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1.O=C(O)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1
• InChI: InChI=1S/C24H18ClF4N7O.C15H12F3N5O2.C8H7ClFN3/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;16-15(17,18)13-4-9(8-1-2-8)3-11-5-10(20-23(11)13)6-22-7-12(14(24)25)19-21-22;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10/h5-9,11-13H,1-4,10H2;3-5,7-8H,1-2,6H2,(H,24,25);1-2,4H,3,11H2
• InChIKey: BBQKTTJKWLMXGP-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 211.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1082.80
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?

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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 157298740) 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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?

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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1.O=C(O)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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?

The InChIKey is BBQKTTJKWLMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4N7O.C15H12F3N5O2.C8H7ClFN3/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;16-15(17,18)13-4-9(8-1-2-8)3-11-5-10(20-23(11)13)6-22-7-12(14(24)25)19-21-22;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10/h5-9,11-13H,1-4,10H2;3-5,7-8H,1-2,6H2,(H,24,25);1-2,4H,3,11H2.

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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?

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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 1082.80 g/mol, XLogP of 9.28, 12 rotatable bonds, 2 hydrogen bond donors, and 17 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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 157298740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).