1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

C23H26N2O3 — CID 71680203

IUPAC1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(c2ccccc2O)c2[nH]c(C)c(C(C)=O)c2C)c1C
InChIInChI=1S/C23H26N2O3/c1-11-19(15(5)26)13(3)24-22(11)21(17-9-7-8-10-18(17)28)23-12(2)20(16(6)27)14(4)25-23/h7-10,21,24-25,28H,1-6H3
InChIKeyMOKFSMLPGYJSRP-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.87
Rot. Bonds5

About 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 71680203) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID71680203
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(c2ccccc2O)c2[nH]c(C)c(C(C)=O)c2C)c1C
InChIInChI=1S/C23H26N2O3/c1-11-19(15(5)26)13(3)24-22(11)21(17-9-7-8-10-18(17)28)23-12(2)20(16(6)27)14(4)25-23/h7-10,21,24-25,28H,1-6H3
InChIKeyMOKFSMLPGYJSRP-UHFFFAOYSA-N
XLogP4.87
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(1-chloroethyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 130719261
1-[5-[1-benzothiophen-2-yl-[5-[1-benzothiophen-2-yl-(5-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 71679040
4-acetyl-N-(2-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3893768
1-phenylethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16500468
2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol
CID 132583305
2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)benzoic acid
CID 139827312
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methylphenyl)ethylamino]propan-1-one
CID 18097377
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
CID 2091172
1-[5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 4800505
3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
CID 15555017
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 8653257

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 71680203) is 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(c2ccccc2O)c2[nH]c(C)c(C(C)=O)c2C)c1C.
What is the InChIKey of 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is MOKFSMLPGYJSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-11-19(15(5)26)13(3)24-22(11)21(17-9-7-8-10-18(17)28)23-12(2)20(16(6)27)14(4)25-23/h7-10,21,24-25,28H,1-6H3.
What are the key properties of 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 378.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 71680203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).