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

C32H43N7O3 — CID 118699815

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

6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 118699815) has the molecular formula C32H43N7O3 and a molecular weight of 573.74 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 118699815
• Molecular Formula: C32H43N7O3
• Molecular Weight: 573.74 g/mol
• Exact Mass: 573.34
• IUPAC Name: 6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(C4CCN(C5CCN(CCO)CC5)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C32H43N7O3/c1-21-27-20-34-32(36-30(27)39(26-5-3-4-6-26)31(42)29(21)22(2)41)35-28-8-7-24(19-33-28)23-9-15-38(16-10-23)25-11-13-37(14-12-25)17-18-40/h7-8,19-20,23,25-26,40H,3-6,9-18H2,1-2H3,(H,33,34,35,36)
• InChIKey: OKZJFDKPXXQJFV-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 116.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.74
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 118699815) is 6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(C4CCN(C5CCN(CCO)CC5)CC4)cn3)nc2n(C2CCCC2)c1=O.

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

The InChIKey is OKZJFDKPXXQJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O3/c1-21-27-20-34-32(36-30(27)39(26-5-3-4-6-26)31(42)29(21)22(2)41)35-28-8-7-24(19-33-28)23-9-15-38(16-10-23)25-11-13-37(14-12-25)17-18-40/h7-8,19-20,23,25-26,40H,3-6,9-18H2,1-2H3,(H,33,34,35,36).

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

6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 573.74 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118699815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).