4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

C22H22N4O3 — CID 136850293

IUPAC4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1cccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1
InChIInChI=1S/C22H22N4O3/c1-29-18-4-2-3-15(11-18)12-21(28)26-10-7-17(14-26)19-13-20(27)25-22(24-19)16-5-8-23-9-6-16/h2-6,8-9,11,13,17H,7,10,12,14H2,1H3,(H,24,25,27)/t17-/m1/s1
InChIKeySVWZMAMMQLFXTI-QGZVFWFLSA-N
MW390.44 g/mol
LogP2.40
Rot. Bonds5

About 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136850293) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136850293
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1cccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1
InChIInChI=1S/C22H22N4O3/c1-29-18-4-2-3-15(11-18)12-21(28)26-10-7-17(14-26)19-13-20(27)25-22(24-19)16-5-8-23-9-6-16/h2-6,8-9,11,13,17H,7,10,12,14H2,1H3,(H,24,25,27)/t17-/m1/s1
InChIKeySVWZMAMMQLFXTI-QGZVFWFLSA-N
XLogP2.40
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136816093
4-[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682114
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
4-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136765637
4-[1-[2-(4-methylphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136816097
4-[(3R)-1-[(2S)-2-(4-methylphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136860911
4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136735325
1-[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 46954737
1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819824
4-[1-[(3-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136673441
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110239986
2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92610382

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136850293) is 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is COc1cccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1.
What is the InChIKey of 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is SVWZMAMMQLFXTI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-18-4-2-3-15(11-18)12-21(28)26-10-7-17(14-26)19-13-20(27)25-22(24-19)16-5-8-23-9-6-16/h2-6,8-9,11,13,17H,7,10,12,14H2,1H3,(H,24,25,27)/t17-/m1/s1.
What are the key properties of 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 390.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136850293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).