N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

C24H24N4O2 — CID 135745488

IUPACN-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(C(C)C)cc23)c(C)n1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-14(2)17-10-11-21-20(13-17)22(24(30)25-21)26-27-23(29)19-12-15(3)28(16(19)4)18-8-6-5-7-9-18/h5-14,25,30H,1-4H3/b27-26+
InChIKeyIWMAOSSHDIJZDA-CYYJNZCTSA-N
MW400.48 g/mol
LogP6.33
Rot. Bonds4

About N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 135745488) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID135745488
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(C(C)C)cc23)c(C)n1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-14(2)17-10-11-21-20(13-17)22(24(30)25-21)26-27-23(29)19-12-15(3)28(16(19)4)18-8-6-5-7-9-18/h5-14,25,30H,1-4H3/b27-26+
InChIKeyIWMAOSSHDIJZDA-CYYJNZCTSA-N
XLogP6.33
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 135758945
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135847909
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827
1-ethyl-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-methylbenzimidazole-5-carboxamide
CID 2094501
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1240511
5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 135775276
2-(6-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]acetamide
CID 135465677
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 1373160
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-phenylquinoline-4-carboxamide
CID 135755055

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (CID 135745488) is N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(C(C)C)cc23)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is IWMAOSSHDIJZDA-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-14(2)17-10-11-21-20(13-17)22(24(30)25-21)26-27-23(29)19-12-15(3)28(16(19)4)18-8-6-5-7-9-18/h5-14,25,30H,1-4H3/b27-26+.
What are the key properties of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 6.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 135745488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).