3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one

C27H26FN7O2S — CID 139911873

About 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one

3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one (PubChem CID 139911873) has the molecular formula C27H26FN7O2S and a molecular weight of 531.62 g/mol. Its IUPAC name is 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
• PubChem CID: 139911873
• Molecular Formula: C27H26FN7O2S
• Molecular Weight: 531.62 g/mol
• Exact Mass: 531.19
• IUPAC Name: 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
• SMILES: CNC1CN(c2ccc3c(=O)c(Cc4ncc(-c5ccccc5F)[nH]4)cn(-c4nccs4)c3n2)CC1OC
• InChI: InChI=1S/C27H26FN7O2S/c1-29-21-14-34(15-22(21)37-2)24-8-7-18-25(36)16(13-35(26(18)33-24)27-30-9-10-38-27)11-23-31-12-20(32-23)17-5-3-4-6-19(17)28/h3-10,12-13,21-22,29H,11,14-15H2,1-2H3,(H,31,32)
• InChIKey: ICFOACJUIMDJPV-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 100.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.62
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?

The IUPAC name of 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one (CID 139911873) is 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one.

What is the SMILES notation for 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?

The canonical SMILES for 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one is CNC1CN(c2ccc3c(=O)c(Cc4ncc(-c5ccccc5F)[nH]4)cn(-c4nccs4)c3n2)CC1OC.

What is the InChIKey of 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?

The InChIKey is ICFOACJUIMDJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O2S/c1-29-21-14-34(15-22(21)37-2)24-8-7-18-25(36)16(13-35(26(18)33-24)27-30-9-10-38-27)11-23-31-12-20(32-23)17-5-3-4-6-19(17)28/h3-10,12-13,21-22,29H,11,14-15H2,1-2H3,(H,31,32).

What are the key properties of 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?

3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one has a molecular weight of 531.62 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 139911873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).