(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride

C44H37Br2ClF4N16O3 — CID 161123677

About (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride

(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride (PubChem CID 161123677) has the molecular formula C44H37Br2ClF4N16O3 and a molecular weight of 1109.14 g/mol. Its IUPAC name is (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
• PubChem CID: 161123677
• Molecular Formula: C44H37Br2ClF4N16O3
• Molecular Weight: 1109.14 g/mol
• Exact Mass: 1106.12
• IUPAC Name: (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
• SMILES: Cl.NCc1ncn2ccc(Br)c(F)c12.O=C(NCc1ncn2ccc(Br)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(F)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(F)c3n2)nn1
• InChI: InChI=1S/C22H17BrF2N8O.C14H12FN5O2.C8H7BrFN3.ClH/c23-15-3-4-31-11-27-17(20(31)19(15)25)6-26-22(34)18-10-33(30-29-18)9-14-8-32-7-13(12-1-2-12)5-16(24)21(32)28-14;15-11-3-9(8-1-2-8)4-19-5-10(16-13(11)19)6-20-7-12(14(21)22)17-18-20;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h3-5,7-8,10-12H,1-2,6,9H2,(H,26,34);3-5,7-8H,1-2,6H2,(H,21,22);1-2,4H,3,11H2;1H
• InChIKey: NFRAFPCJLGIIJY-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 223.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1109.14
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride?

The IUPAC name of (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride (CID 161123677) is (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride.

What is the SMILES notation for (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride?

The canonical SMILES for (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride is Cl.NCc1ncn2ccc(Br)c(F)c12.O=C(NCc1ncn2ccc(Br)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(F)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(F)c3n2)nn1.

What is the InChIKey of (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride?

The InChIKey is NFRAFPCJLGIIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrF2N8O.C14H12FN5O2.C8H7BrFN3.ClH/c23-15-3-4-31-11-27-17(20(31)19(15)25)6-26-22(34)18-10-33(30-29-18)9-14-8-32-7-13(12-1-2-12)5-16(24)21(32)28-14;15-11-3-9(8-1-2-8)4-19-5-10(16-13(11)19)6-20-7-12(14(21)22)17-18-20;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h3-5,7-8,10-12H,1-2,6,9H2,(H,26,34);3-5,7-8H,1-2,6H2,(H,21,22);1-2,4H,3,11H2;1H.

What are the key properties of (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride?

(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride has a molecular weight of 1109.14 g/mol, XLogP of 7.28, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 161123677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).