1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine

C55H57F2N19O9 — CID 157071373

About 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine

1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine (PubChem CID 157071373) has the molecular formula C55H57F2N19O9 and a molecular weight of 1166.18 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine.

Molecular Properties

• Compound Name: 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine
• PubChem CID: 157071373
• Molecular Formula: C55H57F2N19O9
• Molecular Weight: 1166.18 g/mol
• Exact Mass: 1165.46
• IUPAC Name: 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine
• SMILES: COc1ccc(-n2cnnn2)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)cc(C(O)C5COC5)c4n3)nn2)c1F.COc1ccc(-n2cnnn2)c(CN)c1F.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4COC4)c3n2)nn1
• InChI: InChI=1S/C28H28FN9O4.C18H19N5O4.C9H10FN5O/c1-41-25-7-5-23(38-15-30-33-35-38)20(26(25)29)4-6-24(39)22-12-37(34-32-22)11-19-10-36-9-17(16-2-3-16)8-21(28(36)31-19)27(40)18-13-42-14-18;24-16(12-8-27-9-12)14-3-11(10-1-2-10)4-22-5-13(19-17(14)22)6-23-7-15(18(25)26)20-21-23;1-16-8-3-2-7(6(4-11)9(8)10)15-5-12-13-14-15/h5,7-10,12,15-16,18,27,40H,2-4,6,11,13-14H2,1H3;3-5,7,10,12,16,24H,1-2,6,8-9H2,(H,25,26);2-3,5H,4,11H2,1H3
• InChIKey: ACLXVPVQALOUIA-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 340.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1166.18
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine?

The IUPAC name of 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine (CID 157071373) is 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine.

What is the SMILES notation for 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine?

The canonical SMILES for 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine is COc1ccc(-n2cnnn2)c(CCC(=O)c2cn(Cc3cn4cc(C5CC5)cc(C(O)C5COC5)c4n3)nn2)c1F.COc1ccc(-n2cnnn2)c(CN)c1F.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4COC4)c3n2)nn1.

What is the InChIKey of 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine?

The InChIKey is ACLXVPVQALOUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN9O4.C18H19N5O4.C9H10FN5O/c1-41-25-7-5-23(38-15-30-33-35-38)20(26(25)29)4-6-24(39)22-12-37(34-32-22)11-19-10-36-9-17(16-2-3-16)8-21(28(36)31-19)27(40)18-13-42-14-18;24-16(12-8-27-9-12)14-3-11(10-1-2-10)4-22-5-13(19-17(14)22)6-23-7-15(18(25)26)20-21-23;1-16-8-3-2-7(6(4-11)9(8)10)15-5-12-13-14-15/h5,7-10,12,15-16,18,27,40H,2-4,6,11,13-14H2,1H3;3-5,7,10,12,16,24H,1-2,6,8-9H2,(H,25,26);2-3,5H,4,11H2,1H3.

What are the key properties of 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine?

1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine has a molecular weight of 1166.18 g/mol, XLogP of 3.97, 20 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1-[1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 157071373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).