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

C30H32F2N6O — CID 118271296

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

1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one (PubChem CID 118271296) has the molecular formula C30H32F2N6O and a molecular weight of 530.62 g/mol. Its IUPAC name is 1-cyclobutyl-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-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one
• PubChem CID: 118271296
• Molecular Formula: C30H32F2N6O
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.26
• IUPAC Name: 1-cyclobutyl-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)n4C3CCC3)nc2)CC1
• InChI: InChI=1S/C30H32F2N6O/c1-36-13-11-20(12-14-36)37(2)22-9-10-27(34-18-22)35-28-16-26-19(17-33-28)15-23(29-24(31)7-4-8-25(29)32)30(39)38(26)21-5-3-6-21/h4,7-10,15-18,20-21H,3,5-6,11-14H2,1-2H3,(H,33,34,35)
• InChIKey: ZATOVHRPIVWBOH-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-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-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one (CID 118271296) is 1-cyclobutyl-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-cyclobutyl-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-cyclobutyl-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)n4C3CCC3)nc2)CC1.

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

The InChIKey is ZATOVHRPIVWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O/c1-36-13-11-20(12-14-36)37(2)22-9-10-27(34-18-22)35-28-16-26-19(17-33-28)15-23(29-24(31)7-4-8-25(29)32)30(39)38(26)21-5-3-6-21/h4,7-10,15-18,20-21H,3,5-6,11-14H2,1-2H3,(H,33,34,35).

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

1-cyclobutyl-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 530.62 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-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 118271296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).