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

C24H29N5O — CID 5330336

IUPAC8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cc3)ncc12
InChIInChI=1S/C24H29N5O/c1-17-15-22(30)29(20-7-3-4-8-20)23-21(17)16-25-24(27-23)26-18-9-11-19(12-10-18)28-13-5-2-6-14-28/h9-12,15-16,20H,2-8,13-14H2,1H3,(H,25,26,27)
InChIKeyRMNWLVFFWRBNQK-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.95
Rot. Bonds4

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

8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330336) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330336
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cc3)ncc12
InChIInChI=1S/C24H29N5O/c1-17-15-22(30)29(20-7-3-4-8-20)23-21(17)16-25-24(27-23)26-18-9-11-19(12-10-18)28-13-5-2-6-14-28/h9-12,15-16,20H,2-8,13-14H2,1H3,(H,25,26,27)
InChIKeyRMNWLVFFWRBNQK-UHFFFAOYSA-N
XLogP4.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330336) is 8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cc3)ncc12.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RMNWLVFFWRBNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-15-22(30)29(20-7-3-4-8-20)23-21(17)16-25-24(27-23)26-18-9-11-19(12-10-18)28-13-5-2-6-14-28/h9-12,15-16,20H,2-8,13-14H2,1H3,(H,25,26,27).
What are the key properties of 8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 403.53 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).