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

C18H22N6O2S — CID 97270474

IUPAC4-[[2-[(3R)-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-/m1/s1
InChIKeyCYONEKUYIGHYKK-MRXNPFEDSA-N
MW386.48 g/mol
LogP1.63
Rot. Bonds5

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

4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 97270474) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
PubChem CID97270474
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name4-[[2-[(3R)-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-/m1/s1
InChIKeyCYONEKUYIGHYKK-MRXNPFEDSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine (CID 97270474) is 4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-[(3R)-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-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is CYONEKUYIGHYKK-MRXNPFEDSA-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-/m1/s1.
What are the key properties of 4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
4-[[2-[(3R)-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-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 97270474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).