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

C21H19FN4O2 — CID 136816093

IUPAC4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=C(Cc1cccc(F)c1)N1CCC(c2cc(=O)[nH]c(-c3ccncc3)n2)C1
InChIInChI=1S/C21H19FN4O2/c22-17-3-1-2-14(10-17)11-20(28)26-9-6-16(13-26)18-12-19(27)25-21(24-18)15-4-7-23-8-5-15/h1-5,7-8,10,12,16H,6,9,11,13H2,(H,24,25,27)
InChIKeyXPIVDRPRQSQWTC-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.53
Rot. Bonds4

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

4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136816093) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136816093
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=C(Cc1cccc(F)c1)N1CCC(c2cc(=O)[nH]c(-c3ccncc3)n2)C1
InChIInChI=1S/C21H19FN4O2/c22-17-3-1-2-14(10-17)11-20(28)26-9-6-16(13-26)18-12-19(27)25-21(24-18)15-4-7-23-8-5-15/h1-5,7-8,10,12,16H,6,9,11,13H2,(H,24,25,27)
InChIKeyXPIVDRPRQSQWTC-UHFFFAOYSA-N
XLogP2.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-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-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850293
4-[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682114
4-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136681421
4-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136816074
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769
4-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682355
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
2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983401
4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136735325

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136816093) is 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is O=C(Cc1cccc(F)c1)N1CCC(c2cc(=O)[nH]c(-c3ccncc3)n2)C1.
What is the InChIKey of 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is XPIVDRPRQSQWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-3-1-2-14(10-17)11-20(28)26-9-6-16(13-26)18-12-19(27)25-21(24-18)15-4-7-23-8-5-15/h1-5,7-8,10,12,16H,6,9,11,13H2,(H,24,25,27).
What are the key properties of 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 378.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136816093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).