2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide

C32H42N6O — CID 71244765

About 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide

2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide (PubChem CID 71244765) has the molecular formula C32H42N6O and a molecular weight of 526.73 g/mol. Its IUPAC name is 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide
• PubChem CID: 71244765
• Molecular Formula: C32H42N6O
• Molecular Weight: 526.73 g/mol
• Exact Mass: 526.34
• IUPAC Name: 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide
• SMILES: Cc1ccc(C)c(-c2nc3c(c(N4CCN(CC(N)=O)C[C@H]4C)n2)CN(c2cc(C(C)C)ccc2C)CC3)c1
• InChI: InChI=1S/C32H42N6O/c1-20(2)25-10-9-23(5)29(16-25)37-12-11-28-27(18-37)32(38-14-13-36(17-24(38)6)19-30(33)39)35-31(34-28)26-15-21(3)7-8-22(26)4/h7-10,15-16,20,24H,11-14,17-19H2,1-6H3,(H2,33,39)/t24-/m1/s1
• InChIKey: SGIMIKPXQUJKHF-XMMPIXPASA-N
• XLogP: 4.75
• TPSA: 78.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.73
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide?

The IUPAC name of 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide (CID 71244765) is 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide.

What is the SMILES notation for 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide?

The canonical SMILES for 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide is Cc1ccc(C)c(-c2nc3c(c(N4CCN(CC(N)=O)C[C@H]4C)n2)CN(c2cc(C(C)C)ccc2C)CC3)c1.

What is the InChIKey of 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide?

The InChIKey is SGIMIKPXQUJKHF-XMMPIXPASA-N. The full InChI is InChI=1S/C32H42N6O/c1-20(2)25-10-9-23(5)29(16-25)37-12-11-28-27(18-37)32(38-14-13-36(17-24(38)6)19-30(33)39)35-31(34-28)26-15-21(3)7-8-22(26)4/h7-10,15-16,20,24H,11-14,17-19H2,1-6H3,(H2,33,39)/t24-/m1/s1.

What are the key properties of 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide?

2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide has a molecular weight of 526.73 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-4-[2-(2,5-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 71244765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).