[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C19H23N7O — CID 110131951

IUPAC[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(Cc3cnc(-c4nccn4C)cn3)CC2)cn1
InChIInChI=1S/C19H23N7O/c1-24-8-5-20-18(24)17-12-21-16(11-22-17)9-14-3-6-26(7-4-14)19(27)15-10-23-25(2)13-15/h5,8,10-14H,3-4,6-7,9H2,1-2H3
InChIKeyAAGJGLJFRYHLND-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.71
Rot. Bonds4

About [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110131951) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID110131951
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(Cc3cnc(-c4nccn4C)cn3)CC2)cn1
InChIInChI=1S/C19H23N7O/c1-24-8-5-20-18(24)17-12-21-16(11-22-17)9-14-3-6-26(7-4-14)19(27)15-10-23-25(2)13-15/h5,8,10-14H,3-4,6-7,9H2,1-2H3
InChIKeyAAGJGLJFRYHLND-UHFFFAOYSA-N
XLogP1.71
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124991268
2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine
CID 110109866
[(3S)-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125006434
(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124981650
4-methyl-5-[[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099760
[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110205
1-[4-[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110110604
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110116877
(3-fluorophenyl)-[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 125007681
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110129347
1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110131561

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110131951) is [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCC(Cc3cnc(-c4nccn4C)cn3)CC2)cn1.
What is the InChIKey of [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is AAGJGLJFRYHLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-8-5-20-18(24)17-12-21-16(11-22-17)9-14-3-6-26(7-4-14)19(27)15-10-23-25(2)13-15/h5,8,10-14H,3-4,6-7,9H2,1-2H3.
What are the key properties of [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110131951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).