6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one

C20H17N3O — CID 53494820

IUPAC6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
SMILESCc1cccc(-c2cc(-c3c[nH]c4ncccc34)cc(=O)[nH]2)c1C
InChIInChI=1S/C20H17N3O/c1-12-5-3-6-15(13(12)2)18-9-14(10-19(24)23-18)17-11-22-20-16(17)7-4-8-21-20/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyIPCUSNCTBLXBDT-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.20
Rot. Bonds2

About 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one

6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one (PubChem CID 53494820) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
PubChem CID53494820
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
SMILESCc1cccc(-c2cc(-c3c[nH]c4ncccc34)cc(=O)[nH]2)c1C
InChIInChI=1S/C20H17N3O/c1-12-5-3-6-15(13(12)2)18-9-14(10-19(24)23-18)17-11-22-20-16(17)7-4-8-21-20/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyIPCUSNCTBLXBDT-UHFFFAOYSA-N
XLogP4.20
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53494817
6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53492842
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 53494818
6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 174675916
3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 143384633
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087873
5-methyl-2-(2-methylphenyl)-1H-1,8-naphthyridin-4-one
CID 70230377
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
5-(2,3-dimethylphenyl)-1H-pyrimidin-2-one
CID 39781837
3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087195

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one (CID 53494820) is 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one is Cc1cccc(-c2cc(-c3c[nH]c4ncccc34)cc(=O)[nH]2)c1C.
What is the InChIKey of 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The InChIKey is IPCUSNCTBLXBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-12-5-3-6-15(13(12)2)18-9-14(10-19(24)23-18)17-11-22-20-16(17)7-4-8-21-20/h3-11H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 53494820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).