8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one

C17H22N4O2 — CID 171324009

IUPAC8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CC(CO)C3)ncc12
InChIInChI=1S/C17H22N4O2/c1-11-6-15(23)21(13-4-2-3-5-13)16-14(11)7-18-17(19-16)20-8-12(9-20)10-22/h6-7,12-13,22H,2-5,8-10H2,1H3
InChIKeyMKFZUEYRHHTWAB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.64
Rot. Bonds3

About 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 171324009) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID171324009
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CC(CO)C3)ncc12
InChIInChI=1S/C17H22N4O2/c1-11-6-15(23)21(13-4-2-3-5-13)16-14(11)7-18-17(19-16)20-8-12(9-20)10-22/h6-7,12-13,22H,2-5,8-10H2,1H3
InChIKeyMKFZUEYRHHTWAB-UHFFFAOYSA-N
XLogP1.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 171324009) is 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(N3CC(CO)C3)ncc12.
What is the InChIKey of 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MKFZUEYRHHTWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-6-15(23)21(13-4-2-3-5-13)16-14(11)7-18-17(19-16)20-8-12(9-20)10-22/h6-7,12-13,22H,2-5,8-10H2,1H3.
What are the key properties of 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 314.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 171324009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).