1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane

C54H53Cl2F5N16O4 — CID 161171277

About 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane

1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane (PubChem CID 161171277) has the molecular formula C54H53Cl2F5N16O4 and a molecular weight of 1156.02 g/mol. Its IUPAC name is 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane.

Molecular Properties

• Compound Name: 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane
• PubChem CID: 161171277
• Molecular Formula: C54H53Cl2F5N16O4
• Molecular Weight: 1156.02 g/mol
• Exact Mass: 1154.37
• IUPAC Name: 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane
• SMILES: CC1CO1.NCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CNCC(O)C(F)(F)F)c3n2)nn1
• InChI: InChI=1S/C27H25ClF4N8O2.C24H22ClFN8O.C3H6O/c28-19-5-6-38-14-34-20(25(38)24(19)29)3-4-22(41)21-13-40(37-36-21)12-18-11-39-10-17(15-1-2-15)7-16(26(39)35-18)8-33-9-23(42)27(30,31)32;25-18-5-6-32-13-28-19(23(32)22(18)26)3-4-21(35)20-12-34(31-30-20)11-17-10-33-9-16(14-1-2-14)7-15(8-27)24(33)29-17;1-3-2-4-3/h5-7,10-11,13-15,23,33,42H,1-4,8-9,12H2;5-7,9-10,12-14H,1-4,8,11,27H2;3H,2H2,1H3
• InChIKey: URFBAIRZTRMIRU-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 235.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.02
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane?

The IUPAC name of 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane (CID 161171277) is 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane.

What is the SMILES notation for 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane?

The canonical SMILES for 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane is CC1CO1.NCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CNCC(O)C(F)(F)F)c3n2)nn1.

What is the InChIKey of 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane?

The InChIKey is URFBAIRZTRMIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF4N8O2.C24H22ClFN8O.C3H6O/c28-19-5-6-38-14-34-20(25(38)24(19)29)3-4-22(41)21-13-40(37-36-21)12-18-11-39-10-17(15-1-2-15)7-16(26(39)35-18)8-33-9-23(42)27(30,31)32;25-18-5-6-32-13-28-19(23(32)22(18)26)3-4-21(35)20-12-34(31-30-20)11-17-10-33-9-16(14-1-2-14)7-15(8-27)24(33)29-17;1-3-2-4-3/h5-7,10-11,13-15,23,33,42H,1-4,8-9,12H2;5-7,9-10,12-14H,1-4,8,11,27H2;3H,2H2,1H3.

What are the key properties of 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane?

1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane has a molecular weight of 1156.02 g/mol, XLogP of 8.09, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane is sourced from PubChem (CID 161171277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).