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

C32H44N8O2 — CID 118699832

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

6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 118699832) has the molecular formula C32H44N8O2 and a molecular weight of 572.76 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 118699832
• Molecular Formula: C32H44N8O2
• Molecular Weight: 572.76 g/mol
• Exact Mass: 572.36
• IUPAC Name: 6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C5(C)CCN(C)CC5)C[C@H]4C)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C32H44N8O2/c1-21-20-38(32(4)12-14-37(5)15-13-32)16-17-39(21)25-10-11-27(33-18-25)35-31-34-19-26-22(2)28(23(3)41)30(42)40(29(26)36-31)24-8-6-7-9-24/h10-11,18-19,21,24H,6-9,12-17,20H2,1-5H3,(H,33,34,35,36)/t21-/m1/s1
• InChIKey: FERSIQDIBKIOLI-OAQYLSRUSA-N
• XLogP: 4.55
• TPSA: 99.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.76
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 118699832) is 6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-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-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C5(C)CCN(C)CC5)C[C@H]4C)cn3)nc2n(C2CCCC2)c1=O.

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

The InChIKey is FERSIQDIBKIOLI-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H44N8O2/c1-21-20-38(32(4)12-14-37(5)15-13-32)16-17-39(21)25-10-11-27(33-18-25)35-31-34-19-26-22(2)28(23(3)41)30(42)40(29(26)36-31)24-8-6-7-9-24/h10-11,18-19,21,24H,6-9,12-17,20H2,1-5H3,(H,33,34,35,36)/t21-/m1/s1.

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

6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 572.76 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118699832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).