tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride

C73H72BrCl3F2N28O5 — CID 157067871

About tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride

tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride (PubChem CID 157067871) has the molecular formula C73H72BrCl3F2N28O5 and a molecular weight of 1645.83 g/mol. Its IUPAC name is tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride
• PubChem CID: 157067871
• Molecular Formula: C73H72BrCl3F2N28O5
• Molecular Weight: 1645.83 g/mol
• Exact Mass: 1642.45
• IUPAC Name: tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride
• SMILES: CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.Cc1ncn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)n1.Cc1ncn(C2=CC(C3CC3)=CC3C=C(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)C=C23)n1.Cc1ncn[nH]1.Cl.NCc1ncn2ccc(Cl)c(F)c12
• InChI: InChI=1S/C27H23ClFN9O.C18H20BrN5O2.C17H16N8O2.C8H7ClFN3.C3H5N3.ClH/c1-15-31-14-38(34-15)24-9-18(17-2-3-17)8-19-6-16(7-20(19)24)11-37-12-23(33-35-37)27(39)30-10-22-26-25(29)21(28)4-5-36(26)13-32-22;1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13;1-10-18-9-25(21-10)15-4-12(11-2-3-11)5-23-6-13(19-16(15)23)7-24-8-14(17(26)27)20-22-24;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-3-4-2-5-6-3;/h4-9,12-14,17,19H,2-3,10-11H2,1H3,(H,30,39);6-8,10-11H,4-5,9H2,1-3H3;4-6,8-9,11H,2-3,7H2,1H3,(H,26,27);1-2,4H,3,11H2;2H,1H3,(H,4,5,6);1H
• InChIKey: RBAZWVPRMUJOSW-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 383.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1645.83
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride?

The IUPAC name of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride (CID 157067871) is tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride.

What is the SMILES notation for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride?

The canonical SMILES for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride is CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.Cc1ncn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)n1.Cc1ncn(C2=CC(C3CC3)=CC3C=C(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)C=C23)n1.Cc1ncn[nH]1.Cl.NCc1ncn2ccc(Cl)c(F)c12.

What is the InChIKey of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride?

The InChIKey is RBAZWVPRMUJOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN9O.C18H20BrN5O2.C17H16N8O2.C8H7ClFN3.C3H5N3.ClH/c1-15-31-14-38(34-15)24-9-18(17-2-3-17)8-19-6-16(7-20(19)24)11-37-12-23(33-35-37)27(39)30-10-22-26-25(29)21(28)4-5-36(26)13-32-22;1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13;1-10-18-9-25(21-10)15-4-12(11-2-3-11)5-23-6-13(19-16(15)23)7-24-8-14(17(26)27)20-22-24;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-3-4-2-5-6-3;/h4-9,12-14,17,19H,2-3,10-11H2,1H3,(H,30,39);6-8,10-11H,4-5,9H2,1-3H3;4-6,8-9,11H,2-3,7H2,1H3,(H,26,27);1-2,4H,3,11H2;2H,1H3,(H,4,5,6);1H.

What are the key properties of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride?

tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride has a molecular weight of 1645.83 g/mol, XLogP of 11.05, 17 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(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-7-(3-methyl-1,2,4-triazol-1-yl)-3aH-inden-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;5-methyl-1H-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 157067871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).