8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C27H35N5O2 — CID 5330337

IUPAC8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCC(CCCO)CC4)cc3)ncc12
InChIInChI=1S/C27H35N5O2/c1-19-17-25(34)32(23-6-2-3-7-23)26-24(19)18-28-27(30-26)29-21-8-10-22(11-9-21)31-14-12-20(13-15-31)5-4-16-33/h8-11,17-18,20,23,33H,2-7,12-16H2,1H3,(H,28,29,30)
InChIKeyGTRFRQNGOFKNHP-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.95
Rot. Bonds7

About 8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330337) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330337
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCC(CCCO)CC4)cc3)ncc12
InChIInChI=1S/C27H35N5O2/c1-19-17-25(34)32(23-6-2-3-7-23)26-24(19)18-28-27(30-26)29-21-8-10-22(11-9-21)31-14-12-20(13-15-31)5-4-16-33/h8-11,17-18,20,23,33H,2-7,12-16H2,1H3,(H,28,29,30)
InChIKeyGTRFRQNGOFKNHP-UHFFFAOYSA-N
XLogP4.95
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.95
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-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 5330337) is 8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCC(CCCO)CC4)cc3)ncc12.
What is the InChIKey of 8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GTRFRQNGOFKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-19-17-25(34)32(23-6-2-3-7-23)26-24(19)18-28-27(30-26)29-21-8-10-22(11-9-21)31-14-12-20(13-15-31)5-4-16-33/h8-11,17-18,20,23,33H,2-7,12-16H2,1H3,(H,28,29,30).
What are the key properties of 8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 461.61 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).