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

C24H36N4O2 — CID 136711446

IUPAC2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCC(N2CCc3nc(C4CCCN4C(=O)C4CCCC4)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C24H36N4O2/c1-16-8-10-18(11-9-16)27-14-12-20-19(15-27)23(29)26-22(25-20)21-7-4-13-28(21)24(30)17-5-2-3-6-17/h16-18,21H,2-15H2,1H3,(H,25,26,29)
InChIKeyLAELFFWKGYWQAK-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.56
Rot. Bonds3

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

2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136711446) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136711446
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCC(N2CCc3nc(C4CCCN4C(=O)C4CCCC4)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C24H36N4O2/c1-16-8-10-18(11-9-16)27-14-12-20-19(15-27)23(29)26-22(25-20)21-7-4-13-28(21)24(30)17-5-2-3-6-17/h16-18,21H,2-15H2,1H3,(H,25,26,29)
InChIKeyLAELFFWKGYWQAK-UHFFFAOYSA-N
XLogP3.56
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136711446) is 2-[1-(cyclopentanecarbonyl)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-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1CCC(N2CCc3nc(C4CCCN4C(=O)C4CCCC4)[nH]c(=O)c3C2)CC1.
What is the InChIKey of 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LAELFFWKGYWQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-16-8-10-18(11-9-16)27-14-12-20-19(15-27)23(29)26-22(25-20)21-7-4-13-28(21)24(30)17-5-2-3-6-17/h16-18,21H,2-15H2,1H3,(H,25,26,29).
What are the key properties of 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 412.58 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136711446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).