3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one

C24H32N6O2 — CID 91402317

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one
SMILESCCn1nccc1Cc1cccc(C2(C)N=C(N)N(CC3CCN(C(C)=O)CC3)C2=O)c1
InChIInChI=1S/C24H32N6O2/c1-4-30-21(8-11-26-30)15-19-6-5-7-20(14-19)24(3)22(32)29(23(25)27-24)16-18-9-12-28(13-10-18)17(2)31/h5-8,11,14,18H,4,9-10,12-13,15-16H2,1-3H3,(H2,25,27)
InChIKeyLJDFYWGCJAVWKM-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.12
Rot. Bonds6

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one (PubChem CID 91402317) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one
PubChem CID91402317
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one
SMILESCCn1nccc1Cc1cccc(C2(C)N=C(N)N(CC3CCN(C(C)=O)CC3)C2=O)c1
InChIInChI=1S/C24H32N6O2/c1-4-30-21(8-11-26-30)15-19-6-5-7-20(14-19)24(3)22(32)29(23(25)27-24)16-18-9-12-28(13-10-18)17(2)31/h5-8,11,14,18H,4,9-10,12-13,15-16H2,1-3H3,(H2,25,27)
InChIKeyLJDFYWGCJAVWKM-UHFFFAOYSA-N
XLogP2.12
TPSA96.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(2-ethylpyrazol-3-yl)phenyl]-5-methylimidazol-4-one
CID 175264537
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
CID 59262451
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-2-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one
CID 59387327
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-3-[[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 158169162
2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
CID 59262372
2-amino-3-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-5-[3-(3-hydroxyphenyl)phenyl]-5-methylimidazol-4-one
CID 89247921
2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 59388633
2-amino-3-[[(3S)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-[3-(3-hydroxyphenyl)phenyl]-5-methylimidazol-4-one
CID 89247646
(5S)-2-amino-3-[[(3R)-1-benzylsulfonylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one
CID 70128104
CID 145459788
CID 145459788
2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
CID 25006053
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-difluorophenyl)phenyl]-5-methylimidazol-4-one;(5R,6S)-2-amino-5-benzyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one
CID 161432350

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one (CID 91402317) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one is CCn1nccc1Cc1cccc(C2(C)N=C(N)N(CC3CCN(C(C)=O)CC3)C2=O)c1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one?
The InChIKey is LJDFYWGCJAVWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-4-30-21(8-11-26-30)15-19-6-5-7-20(14-19)24(3)22(32)29(23(25)27-24)16-18-9-12-28(13-10-18)17(2)31/h5-8,11,14,18H,4,9-10,12-13,15-16H2,1-3H3,(H2,25,27).
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one has a molecular weight of 436.56 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[(2-ethylpyrazol-3-yl)methyl]phenyl]-5-methylimidazol-4-one is sourced from PubChem (CID 91402317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).