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

C24H30N6O — CID 5330352

IUPAC8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H30N6O/c1-16-17(2)23(31)30(20-5-3-4-6-20)22-21(16)15-26-24(28-22)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
InChIKeyBTIKBNRXWBVMSS-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.68
Rot. Bonds4

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

8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330352) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330352
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H30N6O/c1-16-17(2)23(31)30(20-5-3-4-6-20)22-21(16)15-26-24(28-22)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
InChIKeyBTIKBNRXWBVMSS-UHFFFAOYSA-N
XLogP3.68
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.68
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-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330352) is 8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BTIKBNRXWBVMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-16-17(2)23(31)30(20-5-3-4-6-20)22-21(16)15-26-24(28-22)27-18-7-9-19(10-8-18)29-13-11-25-12-14-29/h7-10,15,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28).
What are the key properties of 8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 418.55 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5,6-dimethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).