N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide

C28H31FN8O2 — CID 163284780

About N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide

N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide (PubChem CID 163284780) has the molecular formula C28H31FN8O2 and a molecular weight of 530.61 g/mol. Its IUPAC name is N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide
• PubChem CID: 163284780
• Molecular Formula: C28H31FN8O2
• Molecular Weight: 530.61 g/mol
• Exact Mass: 530.26
• IUPAC Name: N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide
• SMILES: COc1ccc(-n2cc(C)nn2)c(CNC(=O)c2cn(Cc3cnc4c(c3)CN(C)CC43CC3)c(C)n2)c1F
• InChI: InChI=1S/C28H31FN8O2/c1-17-12-37(34-33-17)23-5-6-24(39-4)25(29)21(23)11-31-27(38)22-15-36(18(2)32-22)13-19-9-20-14-35(3)16-28(7-8-28)26(20)30-10-19/h5-6,9-10,12,15H,7-8,11,13-14,16H2,1-4H3,(H,31,38)
• InChIKey: WADXYFFTMAFTMW-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 102.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.61
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide?

The IUPAC name of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide (CID 163284780) is N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide.

What is the SMILES notation for N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide?

The canonical SMILES for N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide is COc1ccc(-n2cc(C)nn2)c(CNC(=O)c2cn(Cc3cnc4c(c3)CN(C)CC43CC3)c(C)n2)c1F.

What is the InChIKey of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide?

The InChIKey is WADXYFFTMAFTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8O2/c1-17-12-37(34-33-17)23-5-6-24(39-4)25(29)21(23)11-31-27(38)22-15-36(18(2)32-22)13-19-9-20-14-35(3)16-28(7-8-28)26(20)30-10-19/h5-6,9-10,12,15H,7-8,11,13-14,16H2,1-4H3,(H,31,38).

What are the key properties of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide?

N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide has a molecular weight of 530.61 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-methyl-1-[(6-methylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-3-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 163284780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).