3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine

C19H20N6O2S2 — CID 53186982

IUPAC3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCC(n3c(-c4cccs4)nc4cccnc43)C2)cn1
InChIInChI=1S/C19H20N6O2S2/c1-2-23-13-15(11-21-23)29(26,27)24-9-7-14(12-24)25-18-16(5-3-8-20-18)22-19(25)17-6-4-10-28-17/h3-6,8,10-11,13-14H,2,7,9,12H2,1H3
InChIKeyIIWRHSPCSREYGS-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.01
Rot. Bonds5

About 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine

3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine (PubChem CID 53186982) has the molecular formula C19H20N6O2S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
PubChem CID53186982
Molecular FormulaC19H20N6O2S2
Molecular Weight428.54 g/mol
Exact Mass428.11
IUPAC Name3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCC(n3c(-c4cccs4)nc4cccnc43)C2)cn1
InChIInChI=1S/C19H20N6O2S2/c1-2-23-13-15(11-21-23)29(26,27)24-9-7-14(12-24)25-18-16(5-3-8-20-18)22-19(25)17-6-4-10-28-17/h3-6,8,10-11,13-14H,2,7,9,12H2,1H3
InChIKeyIIWRHSPCSREYGS-UHFFFAOYSA-N
XLogP3.01
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
3-(Phenylsulfonyl)-5-(1-pyrrolidinyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
CID 7185124
10-(benzenesulfonyl)-N-methyl-N-(pyridin-3-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 49799684
2-Phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127037440
4-[(2-Amino-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonamide
CID 162396022
2-[1-Ethylsulfonyl-3-[4-[4-(5-methylthiophen-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 164613153
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164614398
7-(1-Methylpyrazol-4-yl)-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164620635
2-[1-Ethylsulfonyl-3-[4-(4-thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 164621906
8-Propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11771684

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine (CID 53186982) is 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine is CCn1cc(S(=O)(=O)N2CCC(n3c(-c4cccs4)nc4cccnc43)C2)cn1.
What is the InChIKey of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The InChIKey is IIWRHSPCSREYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S2/c1-2-23-13-15(11-21-23)29(26,27)24-9-7-14(12-24)25-18-16(5-3-8-20-18)22-19(25)17-6-4-10-28-17/h3-6,8,10-11,13-14H,2,7,9,12H2,1H3.
What are the key properties of 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine has a molecular weight of 428.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-2-thiophen-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 53186982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).