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

C20H24N6O — CID 154583458

IUPAC8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CC(Cn4ccnc4)C3)ncc12
InChIInChI=1S/C20H24N6O/c1-14-8-18(27)26(16-4-2-3-5-16)19-17(14)9-22-20(23-19)25-11-15(12-25)10-24-7-6-21-13-24/h6-9,13,15-16H,2-5,10-12H2,1H3
InChIKeyHTZUWTKRRYPEHA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.55
Rot. Bonds4

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

8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 154583458) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID154583458
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CC(Cn4ccnc4)C3)ncc12
InChIInChI=1S/C20H24N6O/c1-14-8-18(27)26(16-4-2-3-5-16)19-17(14)9-22-20(23-19)25-11-15(12-25)10-24-7-6-21-13-24/h6-9,13,15-16H,2-5,10-12H2,1H3
InChIKeyHTZUWTKRRYPEHA-UHFFFAOYSA-N
XLogP2.55
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 154583458) is 8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(N3CC(Cn4ccnc4)C3)ncc12.
What is the InChIKey of 8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HTZUWTKRRYPEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-8-18(27)26(16-4-2-3-5-16)19-17(14)9-22-20(23-19)25-11-15(12-25)10-24-7-6-21-13-24/h6-9,13,15-16H,2-5,10-12H2,1H3.
What are the key properties of 8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 364.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 154583458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).