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4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide

C21H21FN6O2 — CID 110092665

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(C(=O)c3cnccn3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN6O2/c1-23-20(29)18-17(13-2-4-15(22)5-3-13)26-19(27-18)14-6-10-28(11-7-14)21(30)16-12-24-8-9-25-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,23,29)(H,26,27)
InChIKeyVFINYINBGJJSGS-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.39
Rot. Bonds4

About 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide

4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 110092665) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
PubChem CID110092665
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(C(=O)c3cnccn3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN6O2/c1-23-20(29)18-17(13-2-4-15(22)5-3-13)26-19(27-18)14-6-10-28(11-7-14)21(30)16-12-24-8-9-25-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,23,29)(H,26,27)
InChIKeyVFINYINBGJJSGS-UHFFFAOYSA-N
XLogP2.39
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (CID 110092665) is 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is CNC(=O)c1[nH]c(C2CCN(C(=O)c3cnccn3)CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is VFINYINBGJJSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-23-20(29)18-17(13-2-4-15(22)5-3-13)26-19(27-18)14-6-10-28(11-7-14)21(30)16-12-24-8-9-25-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,23,29)(H,26,27).
What are the key properties of 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110092665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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