4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde

C22H21N5O2 — CID 143389318

IUPAC4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde
SMILESCCn1cc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C=O
InChIInChI=1S/C22H21N5O2/c1-3-27-13-18(11-19(27)14-28)22(20(29)26(2)21(23)25-22)17-8-4-6-15(10-17)16-7-5-9-24-12-16/h4-14H,3H2,1-2H3,(H2,23,25)
InChIKeyZWXLQSYCPDVOFR-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.41
Rot. Bonds5

About 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde

4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde (PubChem CID 143389318) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde
PubChem CID143389318
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde
SMILESCCn1cc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C=O
InChIInChI=1S/C22H21N5O2/c1-3-27-13-18(11-19(27)14-28)22(20(29)26(2)21(23)25-22)17-8-4-6-15(10-17)16-7-5-9-24-12-16/h4-14H,3H2,1-2H3,(H2,23,25)
InChIKeyZWXLQSYCPDVOFR-UHFFFAOYSA-N
XLogP2.41
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11654224
[4-[(4S)-2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]phenyl] methanesulfonate
CID 87682940
2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11668120
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 146622949
2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one
CID 59772735
[3-[2-amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] methanesulfonate
CID 24991739
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
3-[3-[2-amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]propane-1-sulfonic acid
CID 87746366
1-[4-[2-amino-1-methyl-5-oxo-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]phenyl]propane-1-sulfonic acid
CID 87747787
5-[3-[2-amino-1-methyl-5-oxo-4-(4-trimethylsilylphenyl)imidazol-4-yl]phenyl]pyridine-3-carbonitrile
CID 24966340
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-2-ylimidazol-4-one
CID 59388662

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde?
The IUPAC name of 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde (CID 143389318) is 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde.
What is the SMILES notation for 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde?
The canonical SMILES for 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde is CCn1cc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C=O.
What is the InChIKey of 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde?
The InChIKey is ZWXLQSYCPDVOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-27-13-18(11-19(27)14-28)22(20(29)26(2)21(23)25-22)17-8-4-6-15(10-17)16-7-5-9-24-12-16/h4-14H,3H2,1-2H3,(H2,23,25).
What are the key properties of 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde?
4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde has a molecular weight of 387.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-1-ethylpyrrole-2-carbaldehyde is sourced from PubChem (CID 143389318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).