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

C33H35N7O5 — CID 158021764

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

6-acetyl-8-cyclopentyl-2-[[5-[4-[4-(2-hydroxyacetyl)benzoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 158021764) has the molecular formula C33H35N7O5 and a molecular weight of 609.69 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-[4-[4-(2-hydroxyacetyl)benzoyl]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-[4-(2-hydroxyacetyl)benzoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158021764
• Molecular Formula: C33H35N7O5
• Molecular Weight: 609.69 g/mol
• Exact Mass: 609.27
• IUPAC Name: 6-acetyl-8-cyclopentyl-2-[[5-[4-[4-(2-hydroxyacetyl)benzoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)c5ccc(C(=O)CO)cc5)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C33H35N7O5/c1-20-26-18-35-33(37-30(26)40(24-5-3-4-6-24)32(45)29(20)21(2)42)36-28-12-11-25(17-34-28)38-13-15-39(16-14-38)31(44)23-9-7-22(8-10-23)27(43)19-41/h7-12,17-18,24,41H,3-6,13-16,19H2,1-2H3,(H,34,35,36,37)
• InChIKey: IINDCRXGENBQDA-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 150.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.69
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-[4-[4-(2-hydroxyacetyl)benzoyl]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-[4-(2-hydroxyacetyl)benzoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 158021764) is 6-acetyl-8-cyclopentyl-2-[[5-[4-[4-(2-hydroxyacetyl)benzoyl]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-[4-(2-hydroxyacetyl)benzoyl]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-[4-(2-hydroxyacetyl)benzoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)c5ccc(C(=O)CO)cc5)CC4)cn3)nc2n(C2CCCC2)c1=O.

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

The InChIKey is IINDCRXGENBQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N7O5/c1-20-26-18-35-33(37-30(26)40(24-5-3-4-6-24)32(45)29(20)21(2)42)36-28-12-11-25(17-34-28)38-13-15-39(16-14-38)31(44)23-9-7-22(8-10-23)27(43)19-41/h7-12,17-18,24,41H,3-6,13-16,19H2,1-2H3,(H,34,35,36,37).

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

6-acetyl-8-cyclopentyl-2-[[5-[4-[4-(2-hydroxyacetyl)benzoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 609.69 g/mol, XLogP of 3.69, 8 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-[4-(2-hydroxyacetyl)benzoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158021764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).