3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine

C20H26N6 — CID 72939598

IUPAC3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESCc1c(CN2CCCC(c3nccn3Cc3cccnc3)C2)cnn1C
InChIInChI=1S/C20H26N6/c1-16-19(12-23-24(16)2)15-25-9-4-6-18(14-25)20-22-8-10-26(20)13-17-5-3-7-21-11-17/h3,5,7-8,10-12,18H,4,6,9,13-15H2,1-2H3
InChIKeyLQUULIPGZZLYKY-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.75
Rot. Bonds5

About 3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine

3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 72939598) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine
PubChem CID72939598
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESCc1c(CN2CCCC(c3nccn3Cc3cccnc3)C2)cnn1C
InChIInChI=1S/C20H26N6/c1-16-19(12-23-24(16)2)15-25-9-4-6-18(14-25)20-22-8-10-26(20)13-17-5-3-7-21-11-17/h3,5,7-8,10-12,18H,4,6,9,13-15H2,1-2H3
InChIKeyLQUULIPGZZLYKY-UHFFFAOYSA-N
XLogP2.75
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(4-benzyl-1,2,4-triazol-3-yl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine
CID 95111255
5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652
4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97130207
3-[[(3S)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 97205422
(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
3-pyrazol-1-yl-1-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72915772
2-(5-methyltetrazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97197612
3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 72926882
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
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-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine (CID 72939598) is 3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine is Cc1c(CN2CCCC(c3nccn3Cc3cccnc3)C2)cnn1C.
What is the InChIKey of 3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is LQUULIPGZZLYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-16-19(12-23-24(16)2)15-25-9-4-6-18(14-25)20-22-8-10-26(20)13-17-5-3-7-21-11-17/h3,5,7-8,10-12,18H,4,6,9,13-15H2,1-2H3.
What are the key properties of 3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 350.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 72939598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).