5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile

C27H26F2N4O2 — CID 71200308

IUPAC5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile
SMILESCCC(C)C(=O)N1CCC(Oc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2C#N)CC1
InChIInChI=1S/C27H26F2N4O2/c1-3-17(2)27(34)33-14-12-22(13-15-33)35-26-23(16-30)31-24(18-4-8-20(28)9-5-18)25(32-26)19-6-10-21(29)11-7-19/h4-11,17,22H,3,12-15H2,1-2H3
InChIKeyQUBBLPCHSUYEDH-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.38
Rot. Bonds6

About 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile

5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile (PubChem CID 71200308) has the molecular formula C27H26F2N4O2 and a molecular weight of 476.53 g/mol. Its IUPAC name is 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile
PubChem CID71200308
Molecular FormulaC27H26F2N4O2
Molecular Weight476.53 g/mol
Exact Mass476.20
IUPAC Name5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile
SMILESCCC(C)C(=O)N1CCC(Oc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2C#N)CC1
InChIInChI=1S/C27H26F2N4O2/c1-3-17(2)27(34)33-14-12-22(13-15-33)35-26-23(16-30)31-24(18-4-8-20(28)9-5-18)25(32-26)19-6-10-21(29)11-7-19/h4-11,17,22H,3,12-15H2,1-2H3
InChIKeyQUBBLPCHSUYEDH-UHFFFAOYSA-N
XLogP5.38
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile (CID 71200308) is 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile is CCC(C)C(=O)N1CCC(Oc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2C#N)CC1.
What is the InChIKey of 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile?
The InChIKey is QUBBLPCHSUYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O2/c1-3-17(2)27(34)33-14-12-22(13-15-33)35-26-23(16-30)31-24(18-4-8-20(28)9-5-18)25(32-26)19-6-10-21(29)11-7-19/h4-11,17,22H,3,12-15H2,1-2H3.
What are the key properties of 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile?
5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile has a molecular weight of 476.53 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-fluorophenyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 71200308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).