2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one

C24H27N5O6 — CID 137359754

IUPAC2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one
SMILESCOc1cccc(OC)c1-n1c(C2CCCC2)nc(O)c(-c2nnc(CN3CCCC3=O)o2)c1=O
InChIInChI=1S/C24H27N5O6/c1-33-15-9-5-10-16(34-2)20(15)29-21(14-7-3-4-8-14)25-22(31)19(24(29)32)23-27-26-17(35-23)13-28-12-6-11-18(28)30/h5,9-10,14,31H,3-4,6-8,11-13H2,1-2H3
InChIKeySSSIJHHHLJZYBU-UHFFFAOYSA-N
MW481.51 g/mol
LogP2.79
Rot. Bonds7

About 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one

2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one (PubChem CID 137359754) has the molecular formula C24H27N5O6 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one
PubChem CID137359754
Molecular FormulaC24H27N5O6
Molecular Weight481.51 g/mol
Exact Mass481.20
IUPAC Name2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one
SMILESCOc1cccc(OC)c1-n1c(C2CCCC2)nc(O)c(-c2nnc(CN3CCCC3=O)o2)c1=O
InChIInChI=1S/C24H27N5O6/c1-33-15-9-5-10-16(34-2)20(15)29-21(14-7-3-4-8-14)25-22(31)19(24(29)32)23-27-26-17(35-23)13-28-12-6-11-18(28)30/h5,9-10,14,31H,3-4,6-8,11-13H2,1-2H3
InChIKeySSSIJHHHLJZYBU-UHFFFAOYSA-N
XLogP2.79
TPSA132.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one?
The IUPAC name of 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one (CID 137359754) is 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one is COc1cccc(OC)c1-n1c(C2CCCC2)nc(O)c(-c2nnc(CN3CCCC3=O)o2)c1=O.
What is the InChIKey of 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one?
The InChIKey is SSSIJHHHLJZYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O6/c1-33-15-9-5-10-16(34-2)20(15)29-21(14-7-3-4-8-14)25-22(31)19(24(29)32)23-27-26-17(35-23)13-28-12-6-11-18(28)30/h5,9-10,14,31H,3-4,6-8,11-13H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one?
2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one has a molecular weight of 481.51 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one is sourced from PubChem (CID 137359754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).