8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H33N5O3 — CID 110261169

IUPAC8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)C3CC(=O)N(C)C3)CC2)nc2c1CCC(=O)N2C1CCCC1
InChIInChI=1S/C24H33N5O3/c1-15-19-7-8-20(30)29(18-5-3-4-6-18)23(19)26-22(25-15)16-9-11-28(12-10-16)24(32)17-13-21(31)27(2)14-17/h16-18H,3-14H2,1-2H3
InChIKeyUZTGQHRYONZELP-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.19
Rot. Bonds3

About 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110261169) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110261169
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)C3CC(=O)N(C)C3)CC2)nc2c1CCC(=O)N2C1CCCC1
InChIInChI=1S/C24H33N5O3/c1-15-19-7-8-20(30)29(18-5-3-4-6-18)23(19)26-22(25-15)16-9-11-28(12-10-16)24(32)17-13-21(31)27(2)14-17/h16-18H,3-14H2,1-2H3
InChIKeyUZTGQHRYONZELP-UHFFFAOYSA-N
XLogP2.19
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831278
(4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92621672
4,8-dimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261162
3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide
CID 92629189
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
8-(cyclohexylmethyl)-2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127252287
8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125014355
8-benzyl-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249324
4-methyl-8-(2-methylpropyl)-2-[1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629358
(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95278838
8-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629208
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110261169) is 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(C(=O)C3CC(=O)N(C)C3)CC2)nc2c1CCC(=O)N2C1CCCC1.
What is the InChIKey of 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UZTGQHRYONZELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-15-19-7-8-20(30)29(18-5-3-4-6-18)23(19)26-22(25-15)16-9-11-28(12-10-16)24(32)17-13-21(31)27(2)14-17/h16-18H,3-14H2,1-2H3.
What are the key properties of 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 439.56 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110261169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).