3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C23H27F2N7O2 — CID 163272367

About 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 163272367) has the molecular formula C23H27F2N7O2 and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
• PubChem CID: 163272367
• Molecular Formula: C23H27F2N7O2
• Molecular Weight: 471.51 g/mol
• Exact Mass: 471.22
• IUPAC Name: 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
• SMILES: Cn1c2c(cc(Nc3ncc4ccnc(N5CCC(F)(F)CC5)c4n3)c1=O)CN(CCO)CC2
• InChI: InChI=1S/C23H27F2N7O2/c1-30-18-3-7-31(10-11-33)14-16(18)12-17(21(30)34)28-22-27-13-15-2-6-26-20(19(15)29-22)32-8-4-23(24,25)5-9-32/h2,6,12-13,33H,3-5,7-11,14H2,1H3,(H,27,28,29)
• InChIKey: JSMURLYNIMHVBS-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 99.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.51
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The IUPAC name of 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 163272367) is 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

What is the SMILES notation for 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The canonical SMILES for 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is Cn1c2c(cc(Nc3ncc4ccnc(N5CCC(F)(F)CC5)c4n3)c1=O)CN(CCO)CC2.

What is the InChIKey of 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The InChIKey is JSMURLYNIMHVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O2/c1-30-18-3-7-31(10-11-33)14-16(18)12-17(21(30)34)28-22-27-13-15-2-6-26-20(19(15)29-22)32-8-4-23(24,25)5-9-32/h2,6,12-13,33H,3-5,7-11,14H2,1H3,(H,27,28,29).

What are the key properties of 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?

3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 471.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-6-(2-hydroxyethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 163272367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).