1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol

C23H21N3O — CID 138501206

IUPAC1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol
SMILESC=C(O)c1cc(C)cnc1Nc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C23H21N3O/c1-16-12-21(17(2)27)23(24-14-16)25-20-8-9-22-19(13-20)10-11-26(22)15-18-6-4-3-5-7-18/h3-14,27H,2,15H2,1H3,(H,24,25)
InChIKeyLVGZYXPSSHPRSH-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.67
Rot. Bonds5

About 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol

1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol (PubChem CID 138501206) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol.

Molecular Properties

Compound Name1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol
PubChem CID138501206
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol
SMILESC=C(O)c1cc(C)cnc1Nc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C23H21N3O/c1-16-12-21(17(2)27)23(24-14-16)25-20-8-9-22-19(13-20)10-11-26(22)15-18-6-4-3-5-7-18/h3-14,27H,2,15H2,1H3,(H,24,25)
InChIKeyLVGZYXPSSHPRSH-UHFFFAOYSA-N
XLogP5.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine
CID 138501004
1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine
CID 142726467
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152618
N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
CID 67719057
N-[4-[(1-benzylindol-5-yl)amino]quinazolin-6-yl]but-2-enamide
CID 54045069
methyl 2-[(1-benzylindol-5-yl)amino]-5-(trifluoromethyl)benzoate
CID 90152875
2-[(1-benzylindol-5-yl)amino]-5-cyclopentylbenzoic acid
CID 90153225
2-N-(1-benzylindol-5-yl)-5-bromo-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-4-N-(pyridin-2-ylmethyl)-2-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]pyrimidine-2,4-diamine
CID 87957243
N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride
CID 68882984
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
N-(1-benzylindol-5-yl)-6-[4-[(2-methylsulfonylethylamino)methyl]triazol-1-yl]quinazolin-4-amine
CID 71493130
1-benzyl-5-ethenylindole
CID 71373149

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol?
The IUPAC name of 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol (CID 138501206) is 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol.
What is the SMILES notation for 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol?
The canonical SMILES for 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol is C=C(O)c1cc(C)cnc1Nc1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol?
The InChIKey is LVGZYXPSSHPRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-12-21(17(2)27)23(24-14-16)25-20-8-9-22-19(13-20)10-11-26(22)15-18-6-4-3-5-7-18/h3-14,27H,2,15H2,1H3,(H,24,25).
What are the key properties of 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol?
1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol has a molecular weight of 355.44 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol is sourced from PubChem (CID 138501206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).