5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole

C21H19N3 — CID 146452003

IUPAC5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
SMILESCc1cc(-c2cc3cc(-c4cc(C)nc(C)c4)ccc3[nH]2)ccn1
InChIInChI=1S/C21H19N3/c1-13-8-17(6-7-22-13)21-12-19-11-16(4-5-20(19)24-21)18-9-14(2)23-15(3)10-18/h4-12,24H,1-3H3
InChIKeyMQJMXTIGTIJJAB-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.22
Rot. Bonds2

About 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole

5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole (PubChem CID 146452003) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole.

Molecular Properties

Compound Name5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
PubChem CID146452003
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
SMILESCc1cc(-c2cc3cc(-c4cc(C)nc(C)c4)ccc3[nH]2)ccn1
InChIInChI=1S/C21H19N3/c1-13-8-17(6-7-22-13)21-12-19-11-16(4-5-20(19)24-21)18-9-14(2)23-15(3)10-18/h4-12,24H,1-3H3
InChIKeyMQJMXTIGTIJJAB-UHFFFAOYSA-N
XLogP5.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methyl-4-pyridinyl)-1H-indazole
CID 143158050
2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole
CID 146451953
2-(2-methyl-4-pyridinyl)-N-(oxetan-3-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 169097942
2-(3,4-dimethylphenyl)-5-methyl-1H-indole
CID 36688011
5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 20561075
N,N-dimethyl-4-(5-quinolin-4-yl-1H-indol-2-yl)pyridin-2-amine
CID 146451930
5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole
CID 146451999
6-(2-methyl-4-pyridinyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106521446
4-(3,4-ditert-butylphenyl)-2-methylpyridine
CID 122677038
3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one
CID 58506035
2-(2-methylpyrazol-3-yl)-5-pyridin-4-yl-1H-indole
CID 146452018
5-(2-methyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 20550354

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole?
The IUPAC name of 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole (CID 146452003) is 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole.
What is the SMILES notation for 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole?
The canonical SMILES for 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole is Cc1cc(-c2cc3cc(-c4cc(C)nc(C)c4)ccc3[nH]2)ccn1.
What is the InChIKey of 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole?
The InChIKey is MQJMXTIGTIJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-13-8-17(6-7-22-13)21-12-19-11-16(4-5-20(19)24-21)18-9-14(2)23-15(3)10-18/h4-12,24H,1-3H3.
What are the key properties of 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole?
5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole has a molecular weight of 313.40 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole is sourced from PubChem (CID 146452003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).