6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

C46H50N12O4 — CID 90280590

About 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90280590) has the molecular formula C46H50N12O4 and a molecular weight of 834.99 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 90280590
• Molecular Formula: C46H50N12O4
• Molecular Weight: 834.99 g/mol
• Exact Mass: 834.41
• IUPAC Name: 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: COCCNc1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1.Nc1cc2cnc(Nc3ccc(-c4ccccc4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C23H28N6O3.C23H22N6O/c1-14-18-13-26-23(27-19-9-8-16(12-25-19)24-10-11-32-3)28-21(18)29(17-6-4-5-7-17)22(31)20(14)15(2)30;24-19-12-17-14-26-23(28-21(17)29(22(19)30)18-8-4-5-9-18)27-20-11-10-16(13-25-20)15-6-2-1-3-7-15/h8-9,12-13,17,24H,4-7,10-11H2,1-3H3,(H,25,26,27,28);1-3,6-7,10-14,18H,4-5,8-9,24H2,(H,25,26,27,28)
• InChIKey: WJDSOYNCWDFVRH-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 209.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	834.99
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 90280590) is 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is COCCNc1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1.Nc1cc2cnc(Nc3ccc(-c4ccccc4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is WJDSOYNCWDFVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3.C23H22N6O/c1-14-18-13-26-23(27-19-9-8-16(12-25-19)24-10-11-32-3)28-21(18)29(17-6-4-5-7-17)22(31)20(14)15(2)30;24-19-12-17-14-26-23(28-21(17)29(22(19)30)18-8-4-5-9-18)27-20-11-10-16(13-25-20)15-6-2-1-3-7-15/h8-9,12-13,17,24H,4-7,10-11H2,1-3H3,(H,25,26,27,28);1-3,6-7,10-14,18H,4-5,8-9,24H2,(H,25,26,27,28).

What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?

6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 834.99 g/mol, XLogP of 7.91, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90280590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).