8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C25H32N6O — CID 5330353

IUPAC8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H32N6O/c1-3-21-17(2)22-16-27-25(29-23(22)31(24(21)32)20-6-4-5-7-20)28-18-8-10-19(11-9-18)30-14-12-26-13-15-30/h8-11,16,20,26H,3-7,12-15H2,1-2H3,(H,27,28,29)
InChIKeyKPLNDKPZUNFKAQ-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.93
Rot. Bonds5

About 8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330353) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330353
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H32N6O/c1-3-21-17(2)22-16-27-25(29-23(22)31(24(21)32)20-6-4-5-7-20)28-18-8-10-19(11-9-18)30-14-12-26-13-15-30/h8-11,16,20,26H,3-7,12-15H2,1-2H3,(H,27,28,29)
InChIKeyKPLNDKPZUNFKAQ-UHFFFAOYSA-N
XLogP3.93
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.93
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-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330353) is 8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCc1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KPLNDKPZUNFKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-3-21-17(2)22-16-27-25(29-23(22)31(24(21)32)20-6-4-5-7-20)28-18-8-10-19(11-9-18)30-14-12-26-13-15-30/h8-11,16,20,26H,3-7,12-15H2,1-2H3,(H,27,28,29).
What are the key properties of 8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 432.57 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-ethyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).