2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine

C17H16F2N4O2S — CID 87054380

IUPAC2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)nc2cccnc21
InChIInChI=1S/C17H16F2N4O2S/c1-22-16(21-15-3-2-7-20-17(15)22)11-6-8-23(10-11)26(24,25)12-4-5-13(18)14(19)9-12/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyKDXZVHIXRQZQFF-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.42
Rot. Bonds3

About 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine

2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine (PubChem CID 87054380) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
PubChem CID87054380
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)nc2cccnc21
InChIInChI=1S/C17H16F2N4O2S/c1-22-16(21-15-3-2-7-20-17(15)22)11-6-8-23(10-11)26(24,25)12-4-5-13(18)14(19)9-12/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyKDXZVHIXRQZQFF-UHFFFAOYSA-N
XLogP2.42
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110331
3-methyl-2-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110344
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191312
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 95110380
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913825
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 110104922
3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 83275870
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
4-[(3R)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 97416558

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine (CID 87054380) is 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine is Cn1c(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)nc2cccnc21.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The InChIKey is KDXZVHIXRQZQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-22-16(21-15-3-2-7-20-17(15)22)11-6-8-23(10-11)26(24,25)12-4-5-13(18)14(19)9-12/h2-5,7,9,11H,6,8,10H2,1H3.
What are the key properties of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine has a molecular weight of 378.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 87054380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).