1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine

C54H50F2N14O5 — CID 159853633

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine (PubChem CID 159853633) has the molecular formula C54H50F2N14O5 and a molecular weight of 1013.08 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine.

Molecular Properties

• Compound Name: 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine
• PubChem CID: 159853633
• Molecular Formula: C54H50F2N14O5
• Molecular Weight: 1013.08 g/mol
• Exact Mass: 1012.41
• IUPAC Name: 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine
• SMILES: COc1ccc(-c2ccncc2)c(CN)c1F.COc1ccc(-c2ccncc2)c(CNC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/C27H24FN7O2.C14H13N5O2.C13H13FN2O/c1-37-24-6-5-21(18-8-10-29-11-9-18)22(26(24)28)12-30-27(36)23-16-35(33-32-23)15-20-14-34-13-19(17-2-3-17)4-7-25(34)31-20;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;1-17-12-3-2-10(11(8-15)13(12)14)9-4-6-16-7-5-9/h4-11,13-14,16-17H,2-3,12,15H2,1H3,(H,30,36);3-6,8-9H,1-2,7H2,(H,20,21);2-7H,8,15H2,1H3
• InChIKey: NQGDXQQAYGYSEU-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 232.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1013.08
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine?

The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine (CID 159853633) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine.

What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine?

The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine is COc1ccc(-c2ccncc2)c(CN)c1F.COc1ccc(-c2ccncc2)c(CNC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.

What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine?

The InChIKey is NQGDXQQAYGYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O2.C14H13N5O2.C13H13FN2O/c1-37-24-6-5-21(18-8-10-29-11-9-18)22(26(24)28)12-30-27(36)23-16-35(33-32-23)15-20-14-34-13-19(17-2-3-17)4-7-25(34)31-20;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;1-17-12-3-2-10(11(8-15)13(12)14)9-4-6-16-7-5-9/h4-11,13-14,16-17H,2-3,12,15H2,1H3,(H,30,36);3-6,8-9H,1-2,7H2,(H,20,21);2-7H,8,15H2,1H3.

What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine?

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine has a molecular weight of 1013.08 g/mol, XLogP of 7.90, 15 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;(2-fluoro-3-methoxy-6-pyridin-4-ylphenyl)methanamine is sourced from PubChem (CID 159853633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).