5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride

C12H12FN3O3S — CID 168715026

IUPAC5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1ccnc2[nH]ccc12
InChIInChI=1S/C12H12FN3O3S/c13-20(18,19)9-5-11(17)16(7-9)6-8-1-3-14-12-10(8)2-4-15-12/h1-4,9H,5-7H2,(H,14,15)
InChIKeyQEARHTQASOFZJW-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.96
Rot. Bonds3

About 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168715026) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168715026
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1ccnc2[nH]ccc12
InChIInChI=1S/C12H12FN3O3S/c13-20(18,19)9-5-11(17)16(7-9)6-8-1-3-14-12-10(8)2-4-15-12/h1-4,9H,5-7H2,(H,14,15)
InChIKeyQEARHTQASOFZJW-UHFFFAOYSA-N
XLogP0.96
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714890
5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712231
1-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670978
1-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714971
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714487
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714969
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
CID 168709524
5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride
CID 168715104
1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715001
5-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714851
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride (CID 168715026) is 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1Cc1ccnc2[nH]ccc12.
What is the InChIKey of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is QEARHTQASOFZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c13-20(18,19)9-5-11(17)16(7-9)6-8-1-3-14-12-10(8)2-4-15-12/h1-4,9H,5-7H2,(H,14,15).
What are the key properties of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 297.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).