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

C19H20F2N4O2S — CID 91904216

IUPAC3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C19H20F2N4O2S/c1-13-23-18-5-2-6-22-19(18)25(13)12-14-4-3-7-24(11-14)28(26,27)17-9-15(20)8-16(21)10-17/h2,5-6,8-10,14H,3-4,7,11-12H2,1H3
InChIKeyIJEDLJZDDUYHHD-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.12
Rot. Bonds4

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

3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 91904216) has the molecular formula C19H20F2N4O2S and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
PubChem CID91904216
Molecular FormulaC19H20F2N4O2S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C19H20F2N4O2S/c1-13-23-18-5-2-6-22-19(18)25(13)12-14-4-3-7-24(11-14)28(26,27)17-9-15(20)8-16(21)10-17/h2,5-6,8-10,14H,3-4,7,11-12H2,1H3
InChIKeyIJEDLJZDDUYHHD-UHFFFAOYSA-N
XLogP3.12
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904206
3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913825
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913762
3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904230
2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 97429232
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
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 91904194
N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 110875601
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
N-(3-methoxyphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 91904220

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (CID 91904216) is 3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is Cc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is IJEDLJZDDUYHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2S/c1-13-23-18-5-2-6-22-19(18)25(13)12-14-4-3-7-24(11-14)28(26,27)17-9-15(20)8-16(21)10-17/h2,5-6,8-10,14H,3-4,7,11-12H2,1H3.
What are the key properties of 3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 406.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 91904216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).