2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C25H38N4O2 — CID 136796755

IUPAC2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCC(N2CCc3nc(C4CCCN4C(=O)CC4CCCC4)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C25H38N4O2/c1-17-8-10-19(11-9-17)28-14-12-21-20(16-28)25(31)27-24(26-21)22-7-4-13-29(22)23(30)15-18-5-2-3-6-18/h17-19,22H,2-16H2,1H3,(H,26,27,31)
InChIKeyVCJJIUYOEVLXJO-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.95
Rot. Bonds4

About 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796755) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796755
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCC(N2CCc3nc(C4CCCN4C(=O)CC4CCCC4)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C25H38N4O2/c1-17-8-10-19(11-9-17)28-14-12-21-20(16-28)25(31)27-24(26-21)22-7-4-13-29(22)23(30)15-18-5-2-3-6-18/h17-19,22H,2-16H2,1H3,(H,26,27,31)
InChIKeyVCJJIUYOEVLXJO-UHFFFAOYSA-N
XLogP3.95
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-cyclohexylacetyl)-2-(1-propanoylpyrrolidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796842
6-(4-methylcyclohexyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891810
6-(4-methylcyclohexyl)-2-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891805
7-acetyl-2-[(2R)-1-(2-cyclohexylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774883
6-(2-cyclopentylacetyl)-2-[(2R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891746
2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774699
2-[(2R)-1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891180
6-cyclohexyl-2-[(2S)-1-(4-methylbenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860787
6-cyclohexyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796262
6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796272
6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891771
6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796276

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796755) is 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1CCC(N2CCc3nc(C4CCCN4C(=O)CC4CCCC4)[nH]c(=O)c3C2)CC1.
What is the InChIKey of 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VCJJIUYOEVLXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-17-8-10-19(11-9-17)28-14-12-21-20(16-28)25(31)27-24(26-21)22-7-4-13-29(22)23(30)15-18-5-2-3-6-18/h17-19,22H,2-16H2,1H3,(H,26,27,31).
What are the key properties of 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 426.61 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).