2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine

C19H22N6 — CID 110099897

IUPAC2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
SMILESc1cncc(CN2CCC(Cc3nccnc3-c3ncc[nH]3)CC2)c1
InChIInChI=1S/C19H22N6/c1-2-16(13-20-5-1)14-25-10-3-15(4-11-25)12-17-18(22-7-6-21-17)19-23-8-9-24-19/h1-2,5-9,13,15H,3-4,10-12,14H2,(H,23,24)
InChIKeyOGMYOCNSJGTGNH-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.72
Rot. Bonds5

About 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine

2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine (PubChem CID 110099897) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
PubChem CID110099897
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
SMILESc1cncc(CN2CCC(Cc3nccnc3-c3ncc[nH]3)CC2)c1
InChIInChI=1S/C19H22N6/c1-2-16(13-20-5-1)14-25-10-3-15(4-11-25)12-17-18(22-7-6-21-17)19-23-8-9-24-19/h1-2,5-9,13,15H,3-4,10-12,14H2,(H,23,24)
InChIKeyOGMYOCNSJGTGNH-UHFFFAOYSA-N
XLogP2.72
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-[[4-[[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 110152194
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595
(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125010419
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 141455734
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
2-(1H-imidazol-2-yl)-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124992481
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
N-[[5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110095583

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine?
The IUPAC name of 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine (CID 110099897) is 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine is c1cncc(CN2CCC(Cc3nccnc3-c3ncc[nH]3)CC2)c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine?
The InChIKey is OGMYOCNSJGTGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-16(13-20-5-1)14-25-10-3-15(4-11-25)12-17-18(22-7-6-21-17)19-23-8-9-24-19/h1-2,5-9,13,15H,3-4,10-12,14H2,(H,23,24).
What are the key properties of 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine?
2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine has a molecular weight of 334.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine is sourced from PubChem (CID 110099897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).