1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine

C22H26N2 — CID 143003064

IUPAC1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2ccc3c(C)cn(CC4CCCCC4)c3n2)cc1
InChIInChI=1S/C22H26N2/c1-16-8-10-19(11-9-16)21-13-12-20-17(2)14-24(22(20)23-21)15-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3
InChIKeyWBTGMBNLCAGKIJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.90
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine

1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine (PubChem CID 143003064) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine
PubChem CID143003064
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2ccc3c(C)cn(CC4CCCCC4)c3n2)cc1
InChIInChI=1S/C22H26N2/c1-16-8-10-19(11-9-16)21-13-12-20-17(2)14-24(22(20)23-21)15-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3
InChIKeyWBTGMBNLCAGKIJ-UHFFFAOYSA-N
XLogP5.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine (CID 143003064) is 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine is Cc1ccc(-c2ccc3c(C)cn(CC4CCCCC4)c3n2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine?
The InChIKey is WBTGMBNLCAGKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-16-8-10-19(11-9-16)21-13-12-20-17(2)14-24(22(20)23-21)15-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine?
1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine has a molecular weight of 318.46 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-methyl-6-(4-methylphenyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143003064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).