(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid

C47H41Cl2F2N13O3 — CID 157333016

About (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid

(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 157333016) has the molecular formula C47H41Cl2F2N13O3 and a molecular weight of 944.83 g/mol. Its IUPAC name is (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

• Compound Name: (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid
• PubChem CID: 157333016
• Molecular Formula: C47H41Cl2F2N13O3
• Molecular Weight: 944.83 g/mol
• Exact Mass: 943.28
• IUPAC Name: (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid
• SMILES: NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)ccc3[nH]2)nn1.O=C(O)c1cn(CC2=Cc3cc(C4CC4)ccc3C2)nn1
• InChI: InChI=1S/C23H19ClFN7O.C16H15N3O2.C8H7ClFN3/c24-17-5-6-31-12-27-19(22(31)21(17)25)9-26-23(33)20-11-32(30-29-20)10-16-8-15-7-14(13-1-2-13)3-4-18(15)28-16;20-16(21)15-9-19(18-17-15)8-10-5-12-3-4-13(11-1-2-11)7-14(12)6-10;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10/h3-8,11-13,28H,1-2,9-10H2,(H,26,33);3-4,6-7,9,11H,1-2,5,8H2,(H,20,21);1-2,4H,3,11H2
• InChIKey: BFMWMBYHQBRQOL-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 204.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	944.83
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid (CID 157333016) is (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid.

What is the SMILES notation for (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid?

The canonical SMILES for (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid is NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)ccc3[nH]2)nn1.O=C(O)c1cn(CC2=Cc3cc(C4CC4)ccc3C2)nn1.

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

The InChIKey is BFMWMBYHQBRQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7O.C16H15N3O2.C8H7ClFN3/c24-17-5-6-31-12-27-19(22(31)21(17)25)9-26-23(33)20-11-32(30-29-20)10-16-8-15-7-14(13-1-2-13)3-4-18(15)28-16;20-16(21)15-9-19(18-17-15)8-10-5-12-3-4-13(11-1-2-11)7-14(12)6-10;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10/h3-8,11-13,28H,1-2,9-10H2,(H,26,33);3-4,6-7,9,11H,1-2,5,8H2,(H,20,21);1-2,4H,3,11H2.

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

(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 944.83 g/mol, XLogP of 8.13, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide;1-[(5-cyclopropyl-1H-inden-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 157333016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).