[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C18H18N6O — CID 110110080

IUPAC[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(c2nccnc2-c2ncc[nH]2)CC1
InChIInChI=1S/C18H18N6O/c25-18(14-1-5-19-6-2-14)24-11-3-13(4-12-24)15-16(21-8-7-20-15)17-22-9-10-23-17/h1-2,5-10,13H,3-4,11-12H2,(H,22,23)
InChIKeyJMTZOBFAFNJWPU-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.28
Rot. Bonds3

About [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110110080) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110110080
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(c2nccnc2-c2ncc[nH]2)CC1
InChIInChI=1S/C18H18N6O/c25-18(14-1-5-19-6-2-14)24-11-3-13(4-12-24)15-16(21-8-7-20-15)17-22-9-10-23-17/h1-2,5-10,13H,3-4,11-12H2,(H,22,23)
InChIKeyJMTZOBFAFNJWPU-UHFFFAOYSA-N
XLogP2.28
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110907
[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110131923
[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110099808
2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine
CID 110099974
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 125022986
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110110574
6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole
CID 110110865
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 110110080) is [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(c2nccnc2-c2ncc[nH]2)CC1.
What is the InChIKey of [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is JMTZOBFAFNJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(14-1-5-19-6-2-14)24-11-3-13(4-12-24)15-16(21-8-7-20-15)17-22-9-10-23-17/h1-2,5-10,13H,3-4,11-12H2,(H,22,23).
What are the key properties of [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110110080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).