6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one

C17H13N3OS — CID 58087908

IUPAC6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one
SMILESO=c1cccc(Cc2c[nH]c3ncc(-c4ccsc4)cc23)[nH]1
InChIInChI=1S/C17H13N3OS/c21-16-3-1-2-14(20-16)6-13-9-19-17-15(13)7-12(8-18-17)11-4-5-22-10-11/h1-5,7-10H,6H2,(H,18,19)(H,20,21)
InChIKeyHJJZJXFYIREHML-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.57
Rot. Bonds3

About 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one

6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one (PubChem CID 58087908) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one
PubChem CID58087908
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one
SMILESO=c1cccc(Cc2c[nH]c3ncc(-c4ccsc4)cc23)[nH]1
InChIInChI=1S/C17H13N3OS/c21-16-3-1-2-14(20-16)6-13-9-19-17-15(13)7-12(8-18-17)11-4-5-22-10-11/h1-5,7-10H,6H2,(H,18,19)(H,20,21)
InChIKeyHJJZJXFYIREHML-UHFFFAOYSA-N
XLogP3.57
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

1-[3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]ethanone
CID 143385170
(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 134450440
(2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11450654
(5-methyl-1,2-oxazol-3-yl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11209054
4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol
CID 118967684
3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 58086089
12-thiophen-3-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
CID 46843885
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806364
N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane
CID 162248609
2-(2-fluoro-5-hydroxyphenyl)-5,5-dimethyl-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexane-1,3-dione
CID 67005815
3-(3-benzyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dihydro-1H-pyrrolo[3,4-b]pyrrol-6-one
CID 155804537
2,4-difluoro-3-[[5-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]aniline
CID 58087397

Frequently Asked Questions

What is the IUPAC name of 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one (CID 58087908) is 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one is O=c1cccc(Cc2c[nH]c3ncc(-c4ccsc4)cc23)[nH]1.
What is the InChIKey of 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one?
The InChIKey is HJJZJXFYIREHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16-3-1-2-14(20-16)6-13-9-19-17-15(13)7-12(8-18-17)11-4-5-22-10-11/h1-5,7-10H,6H2,(H,18,19)(H,20,21).
What are the key properties of 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one?
6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one has a molecular weight of 307.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 58087908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).