3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine

C19H20ClFN4O2S — CID 91913825

IUPAC3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C19H20ClFN4O2S/c1-13-23-18-5-2-8-22-19(18)25(13)12-14-4-3-9-24(11-14)28(26,27)15-6-7-17(21)16(20)10-15/h2,5-8,10,14H,3-4,9,11-12H2,1H3
InChIKeyYZNIGKUMIMDGDK-UHFFFAOYSA-N
MW422.91 g/mol
LogP3.63
Rot. Bonds4

About 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine

3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 91913825) has the molecular formula C19H20ClFN4O2S and a molecular weight of 422.91 g/mol. Its IUPAC name is 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
PubChem CID91913825
Molecular FormulaC19H20ClFN4O2S
Molecular Weight422.91 g/mol
Exact Mass422.10
IUPAC Name3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C19H20ClFN4O2S/c1-13-23-18-5-2-8-22-19(18)25(13)12-14-4-3-9-24(11-14)28(26,27)15-6-7-17(21)16(20)10-15/h2,5-8,10,14H,3-4,9,11-12H2,1H3
InChIKeyYZNIGKUMIMDGDK-UHFFFAOYSA-N
XLogP3.63
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904216
3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904206
3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904230
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913762
3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913824
2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 91913832
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 87054380
2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110331
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 91904194

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (CID 91913825) is 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is Cc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is YZNIGKUMIMDGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2S/c1-13-23-18-5-2-8-22-19(18)25(13)12-14-4-3-9-24(11-14)28(26,27)15-6-7-17(21)16(20)10-15/h2,5-8,10,14H,3-4,9,11-12H2,1H3.
What are the key properties of 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 422.91 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 91913825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).