5-tert-butyl-2-pyridin-4-yl-1H-indole

C17H18N2 — CID 131887138

IUPAC5-tert-butyl-2-pyridin-4-yl-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(-c3ccncc3)cc2c1
InChIInChI=1S/C17H18N2/c1-17(2,3)14-4-5-15-13(10-14)11-16(19-15)12-6-8-18-9-7-12/h4-11,19H,1-3H3
InChIKeyYFFITGIZVGDZFB-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.53
Rot. Bonds1

About 5-tert-butyl-2-pyridin-4-yl-1H-indole

5-tert-butyl-2-pyridin-4-yl-1H-indole (PubChem CID 131887138) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-tert-butyl-2-pyridin-4-yl-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-pyridin-4-yl-1H-indole
PubChem CID131887138
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name5-tert-butyl-2-pyridin-4-yl-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(-c3ccncc3)cc2c1
InChIInChI=1S/C17H18N2/c1-17(2,3)14-4-5-15-13(10-14)11-16(19-15)12-6-8-18-9-7-12/h4-11,19H,1-3H3
InChIKeyYFFITGIZVGDZFB-UHFFFAOYSA-N
XLogP4.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-5-methyl-1H-indole
CID 36688009
5-tert-butyl-2-(2-methylphenyl)-1H-indole
CID 131887127
5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole
CID 146451999
5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole
CID 131887140
N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine
CID 126608157
5-tert-butyl-2-(trifluoromethyl)-1H-indole
CID 84629986
2-(3-tert-butylphenyl)-5-ethenyl-1H-indole
CID 138751764
2-(2-methylpyrazol-3-yl)-5-pyridin-4-yl-1H-indole
CID 146452018
ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 143223648
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247114
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
1-(5-tert-butyl-1H-indol-2-yl)ethanamine
CID 84622424

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-pyridin-4-yl-1H-indole?
The IUPAC name of 5-tert-butyl-2-pyridin-4-yl-1H-indole (CID 131887138) is 5-tert-butyl-2-pyridin-4-yl-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-pyridin-4-yl-1H-indole?
The canonical SMILES for 5-tert-butyl-2-pyridin-4-yl-1H-indole is CC(C)(C)c1ccc2[nH]c(-c3ccncc3)cc2c1.
What is the InChIKey of 5-tert-butyl-2-pyridin-4-yl-1H-indole?
The InChIKey is YFFITGIZVGDZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-17(2,3)14-4-5-15-13(10-14)11-16(19-15)12-6-8-18-9-7-12/h4-11,19H,1-3H3.
What are the key properties of 5-tert-butyl-2-pyridin-4-yl-1H-indole?
5-tert-butyl-2-pyridin-4-yl-1H-indole has a molecular weight of 250.34 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-pyridin-4-yl-1H-indole is sourced from PubChem (CID 131887138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).