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

C23H27N5O2 — CID 5330335

IUPAC8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12
InChIInChI=1S/C23H27N5O2/c1-16-14-21(29)28(19-4-2-3-5-19)22-20(16)15-24-23(26-22)25-17-6-8-18(9-7-17)27-10-12-30-13-11-27/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,24,25,26)
InChIKeyLRSMFTYPNCRAQC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.80
Rot. Bonds4

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

8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330335) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330335
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12
InChIInChI=1S/C23H27N5O2/c1-16-14-21(29)28(19-4-2-3-5-19)22-20(16)15-24-23(26-22)25-17-6-8-18(9-7-17)27-10-12-30-13-11-27/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,24,25,26)
InChIKeyLRSMFTYPNCRAQC-UHFFFAOYSA-N
XLogP3.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.80
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-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330335) is 8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LRSMFTYPNCRAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-14-21(29)28(19-4-2-3-5-19)22-20(16)15-24-23(26-22)25-17-6-8-18(9-7-17)27-10-12-30-13-11-27/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,24,25,26).
What are the key properties of 8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 405.50 g/mol, XLogP of 3.80, 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-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).