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

C20H22N6O2S2 — CID 53186980

IUPAC2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(n2c(-c3cccs3)nc3cccnc32)C1
InChIInChI=1S/C20H22N6O2S2/c1-13-18(14(2)24(3)23-13)30(27,28)25-10-8-15(12-25)26-19-16(6-4-9-21-19)22-20(26)17-7-5-11-29-17/h4-7,9,11,15H,8,10,12H2,1-3H3
InChIKeyDQKPWVWDEBEHJL-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.15
Rot. Bonds4

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

2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 53186980) has the molecular formula C20H22N6O2S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID53186980
Molecular FormulaC20H22N6O2S2
Molecular Weight442.57 g/mol
Exact Mass442.12
IUPAC Name2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(n2c(-c3cccs3)nc3cccnc32)C1
InChIInChI=1S/C20H22N6O2S2/c1-13-18(14(2)24(3)23-13)30(27,28)25-10-8-15(12-25)26-19-16(6-4-9-21-19)22-20(26)17-7-5-11-29-17/h4-7,9,11,15H,8,10,12H2,1-3H3
InChIKeyDQKPWVWDEBEHJL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 53186980) is 2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(n2c(-c3cccs3)nc3cccnc32)C1.
What is the InChIKey of 2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is DQKPWVWDEBEHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S2/c1-13-18(14(2)24(3)23-13)30(27,28)25-10-8-15(12-25)26-19-16(6-4-9-21-19)22-20(26)17-7-5-11-29-17/h4-7,9,11,15H,8,10,12H2,1-3H3.
What are the key properties of 2-thiophen-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
2-thiophen-2-yl-3-[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-2-yl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 53186980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).