1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine

C20H17N3 — CID 25101369

IUPAC1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCc1cccc(-c2c(-c3ccncc3)n(C)c3cccnc23)c1
InChIInChI=1S/C20H17N3/c1-14-5-3-6-16(13-14)18-19-17(7-4-10-22-19)23(2)20(18)15-8-11-21-12-9-15/h3-13H,1-2H3
InChIKeyZSGVPYTVCLAWJL-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.61
Rot. Bonds2

About 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine

1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (PubChem CID 25101369) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
PubChem CID25101369
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCc1cccc(-c2c(-c3ccncc3)n(C)c3cccnc23)c1
InChIInChI=1S/C20H17N3/c1-14-5-3-6-16(13-14)18-19-17(7-4-10-22-19)23(2)20(18)15-8-11-21-12-9-15/h3-13H,1-2H3
InChIKeyZSGVPYTVCLAWJL-UHFFFAOYSA-N
XLogP4.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-1-methyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101059
7-methyl-5-(3-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile
CID 23364108
butane;4-(3-methylphenyl)pyridine
CID 155692257
5-methyl-8-phenylpyrido[3,2-b]indole
CID 118000252
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360
7-(4-fluorophenyl)-5-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
CID 67240962
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 23647186
4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
CID 46884596
methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate
CID 25101812
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (CID 25101369) is 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is Cc1cccc(-c2c(-c3ccncc3)n(C)c3cccnc23)c1.
What is the InChIKey of 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The InChIKey is ZSGVPYTVCLAWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-14-5-3-6-16(13-14)18-19-17(7-4-10-22-19)23(2)20(18)15-8-11-21-12-9-15/h3-13H,1-2H3.
What are the key properties of 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine has a molecular weight of 299.38 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 25101369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).