1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one

C31H34F2N6O — CID 118270915

About 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one

1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one (PubChem CID 118270915) has the molecular formula C31H34F2N6O and a molecular weight of 544.65 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one
• PubChem CID: 118270915
• Molecular Formula: C31H34F2N6O
• Molecular Weight: 544.65 g/mol
• Exact Mass: 544.28
• IUPAC Name: 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one
• SMILES: CN1CCC(N(C)c2ccc(Nc3cc4c(cn3)cc(-c3c(F)cccc3F)c(=O)n4C3CCCC3)nc2)CC1
• InChI: InChI=1S/C31H34F2N6O/c1-37-14-12-21(13-15-37)38(2)23-10-11-28(35-19-23)36-29-17-27-20(18-34-29)16-24(30-25(32)8-5-9-26(30)33)31(40)39(27)22-6-3-4-7-22/h5,8-11,16-19,21-22H,3-4,6-7,12-15H2,1-2H3,(H,34,35,36)
• InChIKey: FODFFMJTIRSUMP-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.65
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one?

The IUPAC name of 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one (CID 118270915) is 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one.

What is the SMILES notation for 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one?

The canonical SMILES for 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one is CN1CCC(N(C)c2ccc(Nc3cc4c(cn3)cc(-c3c(F)cccc3F)c(=O)n4C3CCCC3)nc2)CC1.

What is the InChIKey of 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one?

The InChIKey is FODFFMJTIRSUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N6O/c1-37-14-12-21(13-15-37)38(2)23-10-11-28(35-19-23)36-29-17-27-20(18-34-29)16-24(30-25(32)8-5-9-26(30)33)31(40)39(27)22-6-3-4-7-22/h5,8-11,16-19,21-22H,3-4,6-7,12-15H2,1-2H3,(H,34,35,36).

What are the key properties of 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one?

1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one has a molecular weight of 544.65 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 118270915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).