3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine

C19H24N6O2S — CID 72926882

IUPAC3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC(c2nccn2Cc2cccnc2)C1
InChIInChI=1S/C19H24N6O2S/c1-15-18(14-23(2)22-15)28(26,27)25-9-4-6-17(13-25)19-21-8-10-24(19)12-16-5-3-7-20-11-16/h3,5,7-8,10-11,14,17H,4,6,9,12-13H2,1-2H3
InChIKeyNIGLLKPDHWKJGB-UHFFFAOYSA-N
MW400.51 g/mol
LogP1.94
Rot. Bonds5

About 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine

3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 72926882) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
PubChem CID72926882
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC(c2nccn2Cc2cccnc2)C1
InChIInChI=1S/C19H24N6O2S/c1-15-18(14-23(2)22-15)28(26,27)25-9-4-6-17(13-25)19-21-8-10-24(19)12-16-5-3-7-20-11-16/h3,5,7-8,10-11,14,17H,4,6,9,12-13H2,1-2H3
InChIKeyNIGLLKPDHWKJGB-UHFFFAOYSA-N
XLogP1.94
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97270473
4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97270474
(1-ethyl-3-methylpyrazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205511
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 72939598
4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97130207
5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72923628
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
(5-methyl-1H-imidazol-2-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97131283
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine (CID 72926882) is 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine is Cc1nn(C)cc1S(=O)(=O)N1CCCC(c2nccn2Cc2cccnc2)C1.
What is the InChIKey of 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is NIGLLKPDHWKJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-15-18(14-23(2)22-15)28(26,27)25-9-4-6-17(13-25)19-21-8-10-24(19)12-16-5-3-7-20-11-16/h3,5,7-8,10-11,14,17H,4,6,9,12-13H2,1-2H3.
What are the key properties of 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine?
3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 400.51 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 72926882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).