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

C20H22N4O3 — CID 162468887

IUPAC6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one
SMILESCn1c(-c2ccc(C3(C)N=C(C4C[C@@H](O)CN4)NC3=O)cc2)cccc1=O
InChIInChI=1S/C20H22N4O3/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)/t14-,15?,20?/m1/s1
InChIKeyXTCLCSSRXXUDLQ-ZUIJCZDSSA-N
MW366.42 g/mol
LogP0.52
Rot. Bonds3

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

6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one (PubChem CID 162468887) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 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.

Molecular Properties

Compound Name6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one
PubChem CID162468887
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one
SMILESCn1c(-c2ccc(C3(C)N=C(C4C[C@@H](O)CN4)NC3=O)cc2)cccc1=O
InChIInChI=1S/C20H22N4O3/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)/t14-,15?,20?/m1/s1
InChIKeyXTCLCSSRXXUDLQ-ZUIJCZDSSA-N
XLogP0.52
TPSA95.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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?
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 (CID 162468887) is 6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one.
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?
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 is 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?
The InChIKey is XTCLCSSRXXUDLQ-ZUIJCZDSSA-N. The full InChI is InChI=1S/C20H22N4O3/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)/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?
6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one has a molecular weight of 366.42 g/mol, XLogP of 0.52, 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 is sourced from PubChem (CID 162468887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).