4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C31H39FN4 — CID 71239001

About 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71239001) has the molecular formula C31H39FN4 and a molecular weight of 486.68 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71239001
• Molecular Formula: C31H39FN4
• Molecular Weight: 486.68 g/mol
• Exact Mass: 486.32
• IUPAC Name: 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1ccc(F)cc1-c1nc2c(c(N3CCCC(C)(C)C3)n1)CN(c1cc(C(C)C)ccc1C)CC2
• InChI: InChI=1S/C31H39FN4/c1-20(2)23-10-8-22(4)28(16-23)35-15-12-27-26(18-35)30(36-14-7-13-31(5,6)19-36)34-29(33-27)25-17-24(32)11-9-21(25)3/h8-11,16-17,20H,7,12-15,18-19H2,1-6H3
• InChIKey: PVKLRESZNOUQQR-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.68
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71239001) is 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(F)cc1-c1nc2c(c(N3CCCC(C)(C)C3)n1)CN(c1cc(C(C)C)ccc1C)CC2.

What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is PVKLRESZNOUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN4/c1-20(2)23-10-8-22(4)28(16-23)35-15-12-27-26(18-35)30(36-14-7-13-31(5,6)19-36)34-29(33-27)25-17-24(32)11-9-21(25)3/h8-11,16-17,20H,7,12-15,18-19H2,1-6H3.

What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 486.68 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,3-dimethylpiperidin-1-yl)-2-(5-fluoro-2-methylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71239001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).