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

C25H36N4O3 — CID 95831278

IUPAC8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)CC[C@@H]3CCCO3)CC2)nc2c1CCC(=O)N2C1CCCC1
InChIInChI=1S/C25H36N4O3/c1-17-21-9-11-23(31)29(19-5-2-3-6-19)25(21)27-24(26-17)18-12-14-28(15-13-18)22(30)10-8-20-7-4-16-32-20/h18-20H,2-16H2,1H3/t20-/m0/s1
InChIKeyLMBJFYIHOURYIK-FQEVSTJZSA-N
MW440.59 g/mol
LogP3.67
Rot. Bonds5

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

8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 95831278) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID95831278
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)CC[C@@H]3CCCO3)CC2)nc2c1CCC(=O)N2C1CCCC1
InChIInChI=1S/C25H36N4O3/c1-17-21-9-11-23(31)29(19-5-2-3-6-19)25(21)27-24(26-17)18-12-14-28(15-13-18)22(30)10-8-20-7-4-16-32-20/h18-20H,2-16H2,1H3/t20-/m0/s1
InChIKeyLMBJFYIHOURYIK-FQEVSTJZSA-N
XLogP3.67
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4,8-dimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261162
1-[4-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 92622482
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
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-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917
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
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454
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
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
2-[1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-3-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249395

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(C(=O)CC[C@@H]3CCCO3)CC2)nc2c1CCC(=O)N2C1CCCC1.
What is the InChIKey of 8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LMBJFYIHOURYIK-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-17-21-9-11-23(31)29(19-5-2-3-6-19)25(21)27-24(26-17)18-12-14-28(15-13-18)22(30)10-8-20-7-4-16-32-20/h18-20H,2-16H2,1H3/t20-/m0/s1.
What are the key properties of 8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-4-methyl-2-[1-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 440.59 g/mol, XLogP of 3.67, 5 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-[3-[(2S)-oxolan-2-yl]propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 95831278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).