6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C30H40N8O4 — CID 134135943

About 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 134135943) has the molecular formula C30H40N8O4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 134135943
• Molecular Formula: C30H40N8O4
• Molecular Weight: 576.70 g/mol
• Exact Mass: 576.32
• IUPAC Name: 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: COCCCNCC(=O)N1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CC1
• InChI: InChI=1S/C30H40N8O4/c1-20-24-18-33-30(35-28(24)38(22-7-4-5-8-22)29(41)27(20)21(2)39)34-25-10-9-23(17-32-25)36-12-14-37(15-13-36)26(40)19-31-11-6-16-42-3/h9-10,17-18,22,31H,4-8,11-16,19H2,1-3H3,(H,32,33,34,35)
• InChIKey: CVPUILJMTJRHGF-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 134.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.70
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 134135943) is 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is COCCCNCC(=O)N1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CC1.

What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is CVPUILJMTJRHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N8O4/c1-20-24-18-33-30(35-28(24)38(22-7-4-5-8-22)29(41)27(20)21(2)39)34-25-10-9-23(17-32-25)36-12-14-37(15-13-36)26(40)19-31-11-6-16-42-3/h9-10,17-18,22,31H,4-8,11-16,19H2,1-3H3,(H,32,33,34,35).

What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?

6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 576.70 g/mol, XLogP of 2.83, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-cyclopentyl-2-[[5-[4-[2-(3-methoxypropylamino)acetyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134135943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).