2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine

C21H26N2 — CID 67141608

IUPAC2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
SMILESCc1ccc(-c2nccc3c(C)c(C)n(CCC(C)C)c23)cc1
InChIInChI=1S/C21H26N2/c1-14(2)11-13-23-17(5)16(4)19-10-12-22-20(21(19)23)18-8-6-15(3)7-9-18/h6-10,12,14H,11,13H2,1-5H3
InChIKeySQEYMDZYCNITDG-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.67
Rot. Bonds4

About 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine

2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 67141608) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
PubChem CID67141608
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
SMILESCc1ccc(-c2nccc3c(C)c(C)n(CCC(C)C)c23)cc1
InChIInChI=1S/C21H26N2/c1-14(2)11-13-23-17(5)16(4)19-10-12-22-20(21(19)23)18-8-6-15(3)7-9-18/h6-10,12,14H,11,13H2,1-5H3
InChIKeySQEYMDZYCNITDG-UHFFFAOYSA-N
XLogP5.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (CID 67141608) is 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is Cc1ccc(-c2nccc3c(C)c(C)n(CCC(C)C)c23)cc1.
What is the InChIKey of 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is SQEYMDZYCNITDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-14(2)11-13-23-17(5)16(4)19-10-12-22-20(21(19)23)18-8-6-15(3)7-9-18/h6-10,12,14H,11,13H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 306.45 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-methylbutyl)-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).