4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine

C18H22N6O2S — CID 97270473

IUPAC4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c1
InChIInChI=1S/C18H22N6O2S/c1-22-13-17(21-14-22)27(25,26)24-9-2-3-16(12-24)18-20-8-10-23(18)11-15-4-6-19-7-5-15/h4-8,10,13-14,16H,2-3,9,11-12H2,1H3/t16-/m0/s1
InChIKeyCYONEKUYIGHYKK-INIZCTEOSA-N
MW386.48 g/mol
LogP1.63
Rot. Bonds5

About 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine

4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 97270473) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
PubChem CID97270473
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c1
InChIInChI=1S/C18H22N6O2S/c1-22-13-17(21-14-22)27(25,26)24-9-2-3-16(12-24)18-20-8-10-23(18)11-15-4-6-19-7-5-15/h4-8,10,13-14,16H,2-3,9,11-12H2,1H3/t16-/m0/s1
InChIKeyCYONEKUYIGHYKK-INIZCTEOSA-N
XLogP1.63
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97270474
3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 72926882
5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 110096443
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
5-methyl-4-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 95824666
2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97277241
1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 97117065
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
(3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97268216

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine (CID 97270473) is 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine is Cn1cnc(S(=O)(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c1.
What is the InChIKey of 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is CYONEKUYIGHYKK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-22-13-17(21-14-22)27(25,26)24-9-2-3-16(12-24)18-20-8-10-23(18)11-15-4-6-19-7-5-15/h4-8,10,13-14,16H,2-3,9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 386.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 97270473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).