4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one

C22H23N5O3 — CID 136891659

IUPAC4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(N[C@@H](C)c3cccnc3)n2)CC1=O
InChIInChI=1S/C22H23N5O3/c1-14(15-6-5-9-23-12-15)24-22-25-17(11-20(28)26-22)16-10-21(29)27(13-16)18-7-3-4-8-19(18)30-2/h3-9,11-12,14,16H,10,13H2,1-2H3,(H2,24,25,26,28)/t14-,16-/m0/s1
InChIKeyUARMFJFLBQQLKJ-HOCLYGCPSA-N
MW405.46 g/mol
LogP2.87
Rot. Bonds6

About 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one

4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one (PubChem CID 136891659) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one
PubChem CID136891659
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(N[C@@H](C)c3cccnc3)n2)CC1=O
InChIInChI=1S/C22H23N5O3/c1-14(15-6-5-9-23-12-15)24-22-25-17(11-20(28)26-22)16-10-21(29)27(13-16)18-7-3-4-8-19(18)30-2/h3-9,11-12,14,16H,10,13H2,1-2H3,(H2,24,25,26,28)/t14-,16-/m0/s1
InChIKeyUARMFJFLBQQLKJ-HOCLYGCPSA-N
XLogP2.87
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one
CID 136891660
1-(2-methoxyphenyl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 78775658
2-[1-[6-oxo-2-(1-pyridin-3-ylethylamino)-1H-pyrimidin-4-yl]ethyl]phthalazin-1-one
CID 136671310
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
4-[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-pyrazin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136763258
5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973774
1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
CID 28957330
2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
CID 28957331
1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one
CID 81392821
5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139214
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546627

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one (CID 136891659) is 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one is COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(N[C@@H](C)c3cccnc3)n2)CC1=O.
What is the InChIKey of 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one?
The InChIKey is UARMFJFLBQQLKJ-HOCLYGCPSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14(15-6-5-9-23-12-15)24-22-25-17(11-20(28)26-22)16-10-21(29)27(13-16)18-7-3-4-8-19(18)30-2/h3-9,11-12,14,16H,10,13H2,1-2H3,(H2,24,25,26,28)/t14-,16-/m0/s1.
What are the key properties of 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one?
4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one has a molecular weight of 405.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136891659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).