6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride

C20H23ClN4O3 — CID 162468886

IUPAC6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1c(-c2ccc(C3(C)N=C(C4C[C@@H](O)CN4)NC3=O)cc2)cccc1=O
InChIInChI=1S/C20H22N4O3.ClH/c1-20(19(27)22-18(23-20)15-10-14(25)11-21-15)13-8-6-12(7-9-13)16-4-3-5-17(26)24(16)2;/h3-9,14-15,21,25H,10-11H2,1-2H3,(H,22,23,27);1H/t14-,15?,20?;/m1./s1
InChIKeyUBJPCYINABOFQD-DQBGKMJDSA-N
MW402.88 g/mol
LogP0.94
Rot. Bonds3

About 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride

6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride (PubChem CID 162468886) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
PubChem CID162468886
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1c(-c2ccc(C3(C)N=C(C4C[C@@H](O)CN4)NC3=O)cc2)cccc1=O
InChIInChI=1S/C20H22N4O3.ClH/c1-20(19(27)22-18(23-20)15-10-14(25)11-21-15)13-8-6-12(7-9-13)16-4-3-5-17(26)24(16)2;/h3-9,14-15,21,25H,10-11H2,1-2H3,(H,22,23,27);1H/t14-,15?,20?;/m1./s1
InChIKeyUBJPCYINABOFQD-DQBGKMJDSA-N
XLogP0.94
TPSA95.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride?
The IUPAC name of 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride (CID 162468886) is 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride is Cl.Cn1c(-c2ccc(C3(C)N=C(C4C[C@@H](O)CN4)NC3=O)cc2)cccc1=O.
What is the InChIKey of 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride?
The InChIKey is UBJPCYINABOFQD-DQBGKMJDSA-N. The full InChI is InChI=1S/C20H22N4O3.ClH/c1-20(19(27)22-18(23-20)15-10-14(25)11-21-15)13-8-6-12(7-9-13)16-4-3-5-17(26)24(16)2;/h3-9,14-15,21,25H,10-11H2,1-2H3,(H,22,23,27);1H/t14-,15?,20?;/m1./s1.
What are the key properties of 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride?
6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride has a molecular weight of 402.88 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 162468886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).