4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one

C20H17N3O — CID 59699815

IUPAC4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
SMILESCCc1ccccc1-c1c[nH]c2ncc(-c3cc[nH]c(=O)c3)cc12
InChIInChI=1S/C20H17N3O/c1-2-13-5-3-4-6-16(13)18-12-23-20-17(18)9-15(11-22-20)14-7-8-21-19(24)10-14/h3-12H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyMPESXGSVYWXEEC-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.15
Rot. Bonds3

About 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one

4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 59699815) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID59699815
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
SMILESCCc1ccccc1-c1c[nH]c2ncc(-c3cc[nH]c(=O)c3)cc12
InChIInChI=1S/C20H17N3O/c1-2-13-5-3-4-6-16(13)18-12-23-20-17(18)9-15(11-22-20)14-7-8-21-19(24)10-14/h3-12H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyMPESXGSVYWXEEC-UHFFFAOYSA-N
XLogP4.15
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylphenyl)-5-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59700061
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215
N-[4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]thiohydroxylamine
CID 88967745
5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide
CID 44554851
methyl-[3-[3-(2-oxo-1H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]cyanamide
CID 122421992
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
3-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-hydroxycyclohexa-1,3-diene-1-carbonitrile
CID 143178845
3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59699759
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
CID 123855828
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-3-methylbutan-1-ol
CID 25155636

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one (CID 59699815) is 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one is CCc1ccccc1-c1c[nH]c2ncc(-c3cc[nH]c(=O)c3)cc12.
What is the InChIKey of 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is MPESXGSVYWXEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-13-5-3-4-6-16(13)18-12-23-20-17(18)9-15(11-22-20)14-7-8-21-19(24)10-14/h3-12H,2H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one?
4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 59699815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).