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

C25H32N6O — CID 5330350

IUPAC8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNC(C)(C)C4)cc3)ncc12
InChIInChI=1S/C25H32N6O/c1-17-14-22(32)31(20-6-4-5-7-20)23-21(17)15-26-24(29-23)28-18-8-10-19(11-9-18)30-13-12-27-25(2,3)16-30/h8-11,14-15,20,27H,4-7,12-13,16H2,1-3H3,(H,26,28,29)
InChIKeyKQCSRBKMYHPKNE-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.15
Rot. Bonds4

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

8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330350) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330350
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNC(C)(C)C4)cc3)ncc12
InChIInChI=1S/C25H32N6O/c1-17-14-22(32)31(20-6-4-5-7-20)23-21(17)15-26-24(29-23)28-18-8-10-19(11-9-18)30-13-12-27-25(2,3)16-30/h8-11,14-15,20,27H,4-7,12-13,16H2,1-3H3,(H,26,28,29)
InChIKeyKQCSRBKMYHPKNE-UHFFFAOYSA-N
XLogP4.15
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 5330350) is 8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNC(C)(C)C4)cc3)ncc12.
What is the InChIKey of 8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KQCSRBKMYHPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-17-14-22(32)31(20-6-4-5-7-20)23-21(17)15-26-24(29-23)28-18-8-10-19(11-9-18)30-13-12-27-25(2,3)16-30/h8-11,14-15,20,27H,4-7,12-13,16H2,1-3H3,(H,26,28,29).
What are the key properties of 8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 432.57 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[4-(3,3-dimethylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).