2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine

C20H22N6O2S2 — CID 97416512

IUPAC2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](n2c(-c3ccsc3)nc3cccnc32)C1
InChIInChI=1S/C20H22N6O2S2/c1-13-18(14(2)24(3)23-13)30(27,28)25-9-6-16(11-25)26-19(15-7-10-29-12-15)22-17-5-4-8-21-20(17)26/h4-5,7-8,10,12,16H,6,9,11H2,1-3H3/t16-/m0/s1
InChIKeyGIWARLLGJBPYKX-INIZCTEOSA-N
MW442.57 g/mol
LogP3.15
Rot. Bonds4

About 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine

2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 97416512) has the molecular formula C20H22N6O2S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID97416512
Molecular FormulaC20H22N6O2S2
Molecular Weight442.57 g/mol
Exact Mass442.12
IUPAC Name2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](n2c(-c3ccsc3)nc3cccnc32)C1
InChIInChI=1S/C20H22N6O2S2/c1-13-18(14(2)24(3)23-13)30(27,28)25-9-6-16(11-25)26-19(15-7-10-29-12-15)22-17-5-4-8-21-20(17)26/h4-5,7-8,10,12,16H,6,9,11H2,1-3H3/t16-/m0/s1
InChIKeyGIWARLLGJBPYKX-INIZCTEOSA-N
XLogP3.15
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-dimethyl-4-[(3S)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95108581
thiophen-3-yl-[(3S)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108348
(3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108499
3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164168
3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95108530
2-ethyl-3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416498
3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine
CID 87050950
2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416502
3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine
CID 46286859
8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 97416493
8-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 97416492
2-methyl-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 83275948

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 97416512) is 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine is Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](n2c(-c3ccsc3)nc3cccnc32)C1.
What is the InChIKey of 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is GIWARLLGJBPYKX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N6O2S2/c1-13-18(14(2)24(3)23-13)30(27,28)25-9-6-16(11-25)26-19(15-7-10-29-12-15)22-17-5-4-8-21-20(17)26/h4-5,7-8,10,12,16H,6,9,11H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 442.57 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 97416512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).