2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine

C18H19ClN6 — CID 110090958

IUPAC2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine
SMILESClc1ccc(CN2CCCC(c3cncc(-n4ccnc4)n3)C2)nc1
InChIInChI=1S/C18H19ClN6/c19-15-3-4-16(22-8-15)12-24-6-1-2-14(11-24)17-9-21-10-18(23-17)25-7-5-20-13-25/h3-5,7-10,13-14H,1-2,6,11-12H2
InChIKeyZLBKWHVLUYNFRM-UHFFFAOYSA-N
MW354.85 g/mol
LogP3.09
Rot. Bonds4

About 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine

2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine (PubChem CID 110090958) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine
PubChem CID110090958
Molecular FormulaC18H19ClN6
Molecular Weight354.85 g/mol
Exact Mass354.14
IUPAC Name2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine
SMILESClc1ccc(CN2CCCC(c3cncc(-n4ccnc4)n3)C2)nc1
InChIInChI=1S/C18H19ClN6/c19-15-3-4-16(22-8-15)12-24-6-1-2-14(11-24)17-9-21-10-18(23-17)25-7-5-20-13-25/h3-5,7-10,13-14H,1-2,6,11-12H2
InChIKeyZLBKWHVLUYNFRM-UHFFFAOYSA-N
XLogP3.09
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 110090161
2-imidazol-1-yl-6-[(3R)-1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrazine
CID 124993320
2-imidazol-1-yl-6-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 110091021
2-imidazol-1-yl-6-[(3R)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 125010570
2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
CID 95815844
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838563
2-imidazol-1-yl-6-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 110253590
1-[(3S)-3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95815681
2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 110096341
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95815716
7-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118472341
2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838554

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine?
The IUPAC name of 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine (CID 110090958) is 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine.
What is the SMILES notation for 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine?
The canonical SMILES for 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine is Clc1ccc(CN2CCCC(c3cncc(-n4ccnc4)n3)C2)nc1.
What is the InChIKey of 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine?
The InChIKey is ZLBKWHVLUYNFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6/c19-15-3-4-16(22-8-15)12-24-6-1-2-14(11-24)17-9-21-10-18(23-17)25-7-5-20-13-25/h3-5,7-10,13-14H,1-2,6,11-12H2.
What are the key properties of 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine?
2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine has a molecular weight of 354.85 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine is sourced from PubChem (CID 110090958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).