[3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

C20H22FN7O — CID 120833458

IUPAC[3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C20H22FN7O/c21-15-1-3-16(4-2-15)28-13-23-11-17(28)20(29)26-8-5-14(6-9-26)19-25-24-18-12-22-7-10-27(18)19/h1-4,11,13-14,22H,5-10,12H2
InChIKeyUUOYNQSHBCDPHO-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.73
Rot. Bonds3

About [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

[3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (PubChem CID 120833458) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
PubChem CID120833458
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name[3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C20H22FN7O/c21-15-1-3-16(4-2-15)28-13-23-11-17(28)20(29)26-8-5-14(6-9-26)19-25-24-18-12-22-7-10-27(18)19/h1-4,11,13-14,22H,5-10,12H2
InChIKeyUUOYNQSHBCDPHO-UHFFFAOYSA-N
XLogP1.73
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (CID 120833458) is [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is O=C(c1cncn1-c1ccc(F)cc1)N1CCC(c2nnc3n2CCNC3)CC1.
What is the InChIKey of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is UUOYNQSHBCDPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c21-15-1-3-16(4-2-15)28-13-23-11-17(28)20(29)26-8-5-14(6-9-26)19-25-24-18-12-22-7-10-27(18)19/h1-4,11,13-14,22H,5-10,12H2.
What are the key properties of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 120833458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).