1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol

C22H19N3O — CID 140996470

IUPAC1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol
SMILESCn1cc(-c2c[nH]cc2-c2cn(C)c3cc(O)ccc23)c2ccccc21
InChIInChI=1S/C22H19N3O/c1-24-12-19(15-5-3-4-6-21(15)24)17-10-23-11-18(17)20-13-25(2)22-9-14(26)7-8-16(20)22/h3-13,23,26H,1-2H3
InChIKeyCJLAAZYKRSQBAS-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.04
Rot. Bonds2

About 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol

1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol (PubChem CID 140996470) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol.

Molecular Properties

Compound Name1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol
PubChem CID140996470
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol
SMILESCn1cc(-c2c[nH]cc2-c2cn(C)c3cc(O)ccc23)c2ccccc21
InChIInChI=1S/C22H19N3O/c1-24-12-19(15-5-3-4-6-21(15)24)17-10-23-11-18(17)20-13-25(2)22-9-14(26)7-8-16(20)22/h3-13,23,26H,1-2H3
InChIKeyCJLAAZYKRSQBAS-UHFFFAOYSA-N
XLogP5.04
TPSA45.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
2-(1-methylindol-3-yl)phenol
CID 154709769
1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole
CID 150247022
1,3-dimethylindol-6-ol
CID 83815731
2-(1-methylindol-3-yl)aniline
CID 138983733
2-(6-hydroxy-1-methylindol-3-yl)pyridine-4-carboxylic acid
CID 115114136
4-hydroxy-3-methoxy-5-(1-methylindol-3-yl)benzoic acid
CID 82039848
1-methyl-3-(4-methylphenyl)indole
CID 58931542
5-methyl-4-(1-methylindol-3-yl)thiophen-2-amine
CID 82477886
6-hydroxy-N,1-dimethylindole-3-carboxamide
CID 23572873
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
2-[4-(1-methylindol-3-yl)-3-(1-methyl-6-nitroindol-3-yl)-1H-pyrrol-2-yl]-2-oxoacetaldehyde
CID 174692319

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol?
The IUPAC name of 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol (CID 140996470) is 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol.
What is the SMILES notation for 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol?
The canonical SMILES for 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol is Cn1cc(-c2c[nH]cc2-c2cn(C)c3cc(O)ccc23)c2ccccc21.
What is the InChIKey of 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol?
The InChIKey is CJLAAZYKRSQBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-24-12-19(15-5-3-4-6-21(15)24)17-10-23-11-18(17)20-13-25(2)22-9-14(26)7-8-16(20)22/h3-13,23,26H,1-2H3.
What are the key properties of 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol?
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol has a molecular weight of 341.41 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol is sourced from PubChem (CID 140996470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).