8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C24H30N6O — CID 5330334

IUPAC8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12
InChIInChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-25-24(27-23)26-18-7-9-19(10-8-18)29-13-11-28(2)12-14-29/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,25,26,27)
InChIKeyKROKICGNSBBBTA-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.71
Rot. Bonds4

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

8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330334) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330334
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12
InChIInChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-25-24(27-23)26-18-7-9-19(10-8-18)29-13-11-28(2)12-14-29/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,25,26,27)
InChIKeyKROKICGNSBBBTA-UHFFFAOYSA-N
XLogP3.71
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 5330334) is 8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KROKICGNSBBBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-15-22(31)30(20-5-3-4-6-20)23-21(17)16-25-24(27-23)26-18-7-9-19(10-8-18)29-13-11-28(2)12-14-29/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,25,26,27).
What are the key properties of 8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 418.55 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).