4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one

C24H31N3O2 — CID 130330932

IUPAC4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one
SMILESCC1=C(c2ccccc2)C(CC(O)CCC(=O)N2CCC(C)CC2)n2cncc21
InChIInChI=1S/C24H31N3O2/c1-17-10-12-26(13-11-17)23(29)9-8-20(28)14-21-24(19-6-4-3-5-7-19)18(2)22-15-25-16-27(21)22/h3-7,15-17,20-21,28H,8-14H2,1-2H3
InChIKeyAFJHAYSQNBFPHH-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.16
Rot. Bonds6

About 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one

4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one (PubChem CID 130330932) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one
PubChem CID130330932
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one
SMILESCC1=C(c2ccccc2)C(CC(O)CCC(=O)N2CCC(C)CC2)n2cncc21
InChIInChI=1S/C24H31N3O2/c1-17-10-12-26(13-11-17)23(29)9-8-20(28)14-21-24(19-6-4-3-5-7-19)18(2)22-15-25-16-27(21)22/h3-7,15-17,20-21,28H,8-14H2,1-2H3
InChIKeyAFJHAYSQNBFPHH-UHFFFAOYSA-N
XLogP4.16
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 130300332
2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one
CID 130330817
1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130300406
(1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol
CID 130330951
1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130300540
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide
CID 130300300
3,3-difluoro-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]butan-1-one
CID 66557939
carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid
CID 18654098
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one (CID 130330932) is 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one is CC1=C(c2ccccc2)C(CC(O)CCC(=O)N2CCC(C)CC2)n2cncc21.
What is the InChIKey of 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one?
The InChIKey is AFJHAYSQNBFPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-10-12-26(13-11-17)23(29)9-8-20(28)14-21-24(19-6-4-3-5-7-19)18(2)22-15-25-16-27(21)22/h3-7,15-17,20-21,28H,8-14H2,1-2H3.
What are the key properties of 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one?
4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one has a molecular weight of 393.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 130330932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).