3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine

C21H24N4O2S — CID 46286773

IUPAC3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(n2cnc3cccnc32)CC1
InChIInChI=1S/C21H24N4O2S/c26-28(27,19-8-7-16-4-1-2-5-17(16)14-19)24-12-9-18(10-13-24)25-15-23-20-6-3-11-22-21(20)25/h3,6-8,11,14-15,18H,1-2,4-5,9-10,12-13H2
InChIKeyADQJZPGIYAIZLK-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.34
Rot. Bonds3

About 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine

3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 46286773) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID46286773
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(n2cnc3cccnc32)CC1
InChIInChI=1S/C21H24N4O2S/c26-28(27,19-8-7-16-4-1-2-5-17(16)14-19)24-12-9-18(10-13-24)25-15-23-20-6-3-11-22-21(20)25/h3,6-8,11,14-15,18H,1-2,4-5,9-10,12-13H2
InChIKeyADQJZPGIYAIZLK-UHFFFAOYSA-N
XLogP3.34
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286792
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286770
2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286841
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide
CID 46958748
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904230
quinolin-5-yl-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 26000710
N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187641
N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
CID 48737336

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine (CID 46286773) is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(n2cnc3cccnc32)CC1.
What is the InChIKey of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is ADQJZPGIYAIZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-28(27,19-8-7-16-4-1-2-5-17(16)14-19)24-12-9-18(10-13-24)25-15-23-20-6-3-11-22-21(20)25/h3,6-8,11,14-15,18H,1-2,4-5,9-10,12-13H2.
What are the key properties of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine?
3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 396.52 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 46286773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).