3-pyridin-4-yl-1H-indole

C26H20N4 — CID 159430533

IUPAC3-pyridin-4-yl-1H-indole
SMILESc1ccc2c(-c3ccncc3)c[nH]c2c1.c1ccc2c(-c3ccncc3)c[nH]c2c1
InChIInChI=1S/2C13H10N2/c2*1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h2*1-9,15H
InChIKeyLQXSRESCWSLLGA-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.46
Rot. Bonds2

About 3-pyridin-4-yl-1H-indole

3-pyridin-4-yl-1H-indole (PubChem CID 159430533) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-pyridin-4-yl-1H-indole.

Molecular Properties

Compound Name3-pyridin-4-yl-1H-indole
PubChem CID159430533
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name3-pyridin-4-yl-1H-indole
SMILESc1ccc2c(-c3ccncc3)c[nH]c2c1.c1ccc2c(-c3ccncc3)c[nH]c2c1
InChIInChI=1S/2C13H10N2/c2*1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h2*1-9,15H
InChIKeyLQXSRESCWSLLGA-UHFFFAOYSA-N
XLogP6.46
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
methane;3-phenyl-1H-indole
CID 167711687
3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one
CID 157118396
2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135637531
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986
3-selenophen-3-yl-1H-indole
CID 172687762
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
3-(1H-indol-3-yl)aniline
CID 82395331
3-(1-phenylpyrazol-4-yl)-1H-indole
CID 70687777
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1H-indole?
The IUPAC name of 3-pyridin-4-yl-1H-indole (CID 159430533) is 3-pyridin-4-yl-1H-indole.
What is the SMILES notation for 3-pyridin-4-yl-1H-indole?
The canonical SMILES for 3-pyridin-4-yl-1H-indole is c1ccc2c(-c3ccncc3)c[nH]c2c1.c1ccc2c(-c3ccncc3)c[nH]c2c1.
What is the InChIKey of 3-pyridin-4-yl-1H-indole?
The InChIKey is LQXSRESCWSLLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10N2/c2*1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h2*1-9,15H.
What are the key properties of 3-pyridin-4-yl-1H-indole?
3-pyridin-4-yl-1H-indole has a molecular weight of 388.47 g/mol, XLogP of 6.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1H-indole is sourced from PubChem (CID 159430533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).