3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine

C22H26N4O2S — CID 91904230

IUPAC3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C22H26N4O2S/c1-16-24-21-8-3-11-23-22(21)26(16)15-17-5-4-12-25(14-17)29(27,28)20-10-9-18-6-2-7-19(18)13-20/h3,8-11,13,17H,2,4-7,12,14-15H2,1H3
InChIKeyIWFDSSPZOHWAAP-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.33
Rot. Bonds4

About 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine

3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 91904230) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
PubChem CID91904230
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C22H26N4O2S/c1-16-24-21-8-3-11-23-22(21)26(16)15-17-5-4-12-25(14-17)29(27,28)20-10-9-18-6-2-7-19(18)13-20/h3,8-11,13,17H,2,4-7,12,14-15H2,1H3
InChIKeyIWFDSSPZOHWAAP-UHFFFAOYSA-N
XLogP3.33
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904206
3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904216
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913762
3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913825
2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286792
3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913824
3-(2-bromoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80674181
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 63397341
2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 91913832
2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286841
2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50794270
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (CID 91904230) is 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is Cc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is IWFDSSPZOHWAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16-24-21-8-3-11-23-22(21)26(16)15-17-5-4-12-25(14-17)29(27,28)20-10-9-18-6-2-7-19(18)13-20/h3,8-11,13,17H,2,4-7,12,14-15H2,1H3.
What are the key properties of 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 410.54 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 91904230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).