2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

C23H28N6O — CID 5330346

IUPAC2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCC(N)C4)cc3)ncc12
InChIInChI=1S/C23H28N6O/c1-15-12-21(30)29(19-4-2-3-5-19)22-20(15)13-25-23(27-22)26-17-6-8-18(9-7-17)28-11-10-16(24)14-28/h6-9,12-13,16,19H,2-5,10-11,14,24H2,1H3,(H,25,26,27)
InChIKeyBCKQYJBXCPJBCW-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.50
Rot. Bonds4

About 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330346) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330346
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCC(N)C4)cc3)ncc12
InChIInChI=1S/C23H28N6O/c1-15-12-21(30)29(19-4-2-3-5-19)22-20(15)13-25-23(27-22)26-17-6-8-18(9-7-17)28-11-10-16(24)14-28/h6-9,12-13,16,19H,2-5,10-11,14,24H2,1H3,(H,25,26,27)
InChIKeyBCKQYJBXCPJBCW-UHFFFAOYSA-N
XLogP3.50
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 5330346) is 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCC(N)C4)cc3)ncc12.
What is the InChIKey of 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BCKQYJBXCPJBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-15-12-21(30)29(19-4-2-3-5-19)22-20(15)13-25-23(27-22)26-17-6-8-18(9-7-17)28-11-10-16(24)14-28/h6-9,12-13,16,19H,2-5,10-11,14,24H2,1H3,(H,25,26,27).
What are the key properties of 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 404.52 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopyrrolidin-1-yl)anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).