3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride

C45H40Br2ClF2N15O3 — CID 157478392

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

3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride (PubChem CID 157478392) has the molecular formula C45H40Br2ClF2N15O3 and a molecular weight of 1072.17 g/mol. Its IUPAC name is 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
• PubChem CID: 157478392
• Molecular Formula: C45H40Br2ClF2N15O3
• Molecular Weight: 1072.17 g/mol
• Exact Mass: 1069.15
• IUPAC Name: 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
• SMILES: Cl.NCc1ncn2ccc(Br)c(F)c12.O=C(CCc1ncn2ccc(Br)c(F)c12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/C23H19BrFN7O.C14H13N5O2.C8H7BrFN3.ClH/c24-17-7-8-30-13-26-18(23(30)22(17)25)4-5-20(33)19-12-32(29-28-19)11-16-10-31-9-15(14-1-2-14)3-6-21(31)27-16;20-14(21)12-8-19(17-16-12)7-11-6-18-5-10(9-1-2-9)3-4-13(18)15-11;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h3,6-10,12-14H,1-2,4-5,11H2;3-6,8-9H,1-2,7H2,(H,20,21);1-2,4H,3,11H2;1H
• InChIKey: SWTQJHWRPVDFDM-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 211.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.17
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride (CID 157478392) is 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride.

What is the SMILES notation for 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride?

The canonical SMILES for 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride is Cl.NCc1ncn2ccc(Br)c(F)c12.O=C(CCc1ncn2ccc(Br)c(F)c12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.

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

The InChIKey is SWTQJHWRPVDFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN7O.C14H13N5O2.C8H7BrFN3.ClH/c24-17-7-8-30-13-26-18(23(30)22(17)25)4-5-20(33)19-12-32(29-28-19)11-16-10-31-9-15(14-1-2-14)3-6-21(31)27-16;20-14(21)12-8-19(17-16-12)7-11-6-18-5-10(9-1-2-9)3-4-13(18)15-11;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h3,6-10,12-14H,1-2,4-5,11H2;3-6,8-9H,1-2,7H2,(H,20,21);1-2,4H,3,11H2;1H.

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

3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride has a molecular weight of 1072.17 g/mol, XLogP of 7.88, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 157478392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).