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

C48H48F2N20O3 — CID 159594992

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

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine (PubChem CID 159594992) has the molecular formula C48H48F2N20O3 and a molecular weight of 991.04 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine.

Molecular Properties

• Compound Name: 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine
• PubChem CID: 159594992
• Molecular Formula: C48H48F2N20O3
• Molecular Weight: 991.04 g/mol
• Exact Mass: 990.42
• IUPAC Name: 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine
• SMILES: CCc1ccc(-n2cnnn2)c(CN)c1F.CCc1ccc(-n2cnnn2)c(CNC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/C24H23FN10O.C14H13N5O2.C10H12FN5/c1-2-15-5-7-21(35-14-27-30-32-35)19(23(15)25)9-26-24(36)20-13-34(31-29-20)12-18-11-33-10-17(16-3-4-16)6-8-22(33)28-18;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;1-2-7-3-4-9(8(5-12)10(7)11)16-6-13-14-15-16/h5-8,10-11,13-14,16H,2-4,9,12H2,1H3,(H,26,36);3-6,8-9H,1-2,7H2,(H,20,21);3-4,6H,2,5,12H2,1H3
• InChIKey: MKSLLACWKAAMIT-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 275.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.04
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine (CID 159594992) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine.

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

The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine is CCc1ccc(-n2cnnn2)c(CN)c1F.CCc1ccc(-n2cnnn2)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-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine?

The InChIKey is MKSLLACWKAAMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN10O.C14H13N5O2.C10H12FN5/c1-2-15-5-7-21(35-14-27-30-32-35)19(23(15)25)9-26-24(36)20-13-34(31-29-20)12-18-11-33-10-17(16-3-4-16)6-8-22(33)28-18;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;1-2-7-3-4-9(8(5-12)10(7)11)16-6-13-14-15-16/h5-8,10-11,13-14,16H,2-4,9,12H2,1H3,(H,26,36);3-6,8-9H,1-2,7H2,(H,20,21);3-4,6H,2,5,12H2,1H3.

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

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine has a molecular weight of 991.04 g/mol, XLogP of 4.83, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;[3-ethyl-2-fluoro-6-(tetrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 159594992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).