3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine

C20H23ClN4O2S — CID 91913824

IUPAC3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C20H23ClN4O2S/c1-15-23-19-9-4-10-22-20(19)25(15)13-16-6-5-11-24(12-16)28(26,27)14-17-7-2-3-8-18(17)21/h2-4,7-10,16H,5-6,11-14H2,1H3
InChIKeyUDARUTAMSNZSHB-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.64
Rot. Bonds5

About 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine

3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 91913824) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
PubChem CID91913824
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC Name3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C20H23ClN4O2S/c1-15-23-19-9-4-10-22-20(19)25(15)13-16-6-5-11-24(12-16)28(26,27)14-17-7-2-3-8-18(17)21/h2-4,7-10,16H,5-6,11-14H2,1H3
InChIKeyUDARUTAMSNZSHB-UHFFFAOYSA-N
XLogP3.64
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.64
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-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904216
3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904230
2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 91913832
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 124687354
[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
CID 91904137

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (CID 91913824) is 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is Cc1nc2cccnc2n1CC1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is UDARUTAMSNZSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-15-23-19-9-4-10-22-20(19)25(15)13-16-6-5-11-24(12-16)28(26,27)14-17-7-2-3-8-18(17)21/h2-4,7-10,16H,5-6,11-14H2,1H3.
What are the key properties of 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 418.95 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 91913824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).