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

C29H40N6 — CID 71240451

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

2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240451) has the molecular formula C29H40N6 and a molecular weight of 472.68 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71240451
• Molecular Formula: C29H40N6
• Molecular Weight: 472.68 g/mol
• Exact Mass: 472.33
• IUPAC Name: 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1cccc(C)c1-c1nc2c(c(N3CCCC(C)(C)C3)n1)CN(c1cc(C(C)C)nn1C)CC2
• InChI: InChI=1S/C29H40N6/c1-19(2)24-16-25(33(7)32-24)34-15-12-23-22(17-34)28(35-14-9-13-29(5,6)18-35)31-27(30-23)26-20(3)10-8-11-21(26)4/h8,10-11,16,19H,9,12-15,17-18H2,1-7H3
• InChIKey: GJUFPEMZBXXRAY-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.68
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240451) is 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cccc(C)c1-c1nc2c(c(N3CCCC(C)(C)C3)n1)CN(c1cc(C(C)C)nn1C)CC2.

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

The InChIKey is GJUFPEMZBXXRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6/c1-19(2)24-16-25(33(7)32-24)34-15-12-23-22(17-34)28(35-14-9-13-29(5,6)18-35)31-27(30-23)26-20(3)10-8-11-21(26)4/h8,10-11,16,19H,9,12-15,17-18H2,1-7H3.

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

2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 472.68 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).