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

C19H20N6O2 — CID 136682319

IUPAC2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(CCn1cccn1)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1
InChIInChI=1S/C19H20N6O2/c26-17-12-16(15-4-1-2-7-20-15)22-19(23-17)14-5-10-24(13-14)18(27)6-11-25-9-3-8-21-25/h1-4,7-9,12,14H,5-6,10-11,13H2,(H,22,23,26)/t14-/m1/s1
InChIKeyVTDGOQITIBWPKA-CQSZACIVSA-N
MW364.41 g/mol
LogP1.43
Rot. Bonds5

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

2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136682319) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136682319
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(CCn1cccn1)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1
InChIInChI=1S/C19H20N6O2/c26-17-12-16(15-4-1-2-7-20-15)22-19(23-17)14-5-10-24(13-14)18(27)6-11-25-9-3-8-21-25/h1-4,7-9,12,14H,5-6,10-11,13H2,(H,22,23,26)/t14-/m1/s1
InChIKeyVTDGOQITIBWPKA-CQSZACIVSA-N
XLogP1.43
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-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

2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881093
2-[(3R)-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850811
2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682322
2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136820889
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735357
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872
2-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881616
2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881140
2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820909
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881126
1-[(2R)-2-isoquinolin-3-ylmorpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92576978
4-(2-oxo-1H-pyridin-3-yl)-2-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136881792

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 136682319) is 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is O=C(CCn1cccn1)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1.
What is the InChIKey of 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is VTDGOQITIBWPKA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-17-12-16(15-4-1-2-7-20-15)22-19(23-17)14-5-10-24(13-14)18(27)6-11-25-9-3-8-21-25/h1-4,7-9,12,14H,5-6,10-11,13H2,(H,22,23,26)/t14-/m1/s1.
What are the key properties of 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 364.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136682319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).