3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid

C47H41Cl2F2N13O3 — CID 158313471

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 158313471) has the molecular formula C47H41Cl2F2N13O3 and a molecular weight of 944.83 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid
• PubChem CID: 158313471
• Molecular Formula: C47H41Cl2F2N13O3
• Molecular Weight: 944.83 g/mol
• Exact Mass: 943.28
• IUPAC Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid
• SMILES: NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(CC2=Nc3cc(C4CC4)ccc3C2)nn1.O=C(O)c1cn(CC2=Nc3cc(C4CC4)ccc3C2)nn1
• InChI: InChI=1S/C24H20ClFN6O.C15H14N4O2.C8H7ClFN3/c25-18-7-8-31-13-27-19(24(31)23(18)26)5-6-22(33)21-12-32(30-29-21)11-17-9-16-4-3-15(14-1-2-14)10-20(16)28-17;20-15(21)14-8-19(18-17-14)7-12-5-11-4-3-10(9-1-2-9)6-13(11)16-12;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10/h3-4,7-8,10,12-14H,1-2,5-6,9,11H2;3-4,6,8-9H,1-2,5,7H2,(H,20,21);1-2,4H,3,11H2
• InChIKey: GNYSRWFROAMGNV-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 201.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	944.83
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid?

The IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid (CID 158313471) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-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-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid?

The canonical SMILES for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid is NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(CC2=Nc3cc(C4CC4)ccc3C2)nn1.O=C(O)c1cn(CC2=Nc3cc(C4CC4)ccc3C2)nn1.

What is the InChIKey of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid?

The InChIKey is GNYSRWFROAMGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O.C15H14N4O2.C8H7ClFN3/c25-18-7-8-31-13-27-19(24(31)23(18)26)5-6-22(33)21-12-32(30-29-21)11-17-9-16-4-3-15(14-1-2-14)10-20(16)28-17;20-15(21)14-8-19(18-17-14)7-12-5-11-4-3-10(9-1-2-9)6-13(11)16-12;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10/h3-4,7-8,10,12-14H,1-2,5-6,9,11H2;3-4,6,8-9H,1-2,5,7H2,(H,20,21);1-2,4H,3,11H2.

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

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 944.83 g/mol, XLogP of 8.51, 12 rotatable bonds, 2 hydrogen bond donors, and 15 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-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 158313471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).