2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile

C20H19F2N5O — CID 166108437

IUPAC2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile
SMILESN#CC(=C1CCN(C(=O)N2CCn3cncc3C2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H19F2N5O/c21-18-2-1-15(9-19(18)22)17(10-23)14-3-5-25(6-4-14)20(28)26-7-8-27-13-24-11-16(27)12-26/h1-2,9,11,13H,3-8,12H2
InChIKeyPQWCAUNIQRJYKF-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.17
Rot. Bonds1

About 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile

2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile (PubChem CID 166108437) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile
PubChem CID166108437
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile
SMILESN#CC(=C1CCN(C(=O)N2CCn3cncc3C2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H19F2N5O/c21-18-2-1-15(9-19(18)22)17(10-23)14-3-5-25(6-4-14)20(28)26-7-8-27-13-24-11-16(27)12-26/h1-2,9,11,13H,3-8,12H2
InChIKeyPQWCAUNIQRJYKF-UHFFFAOYSA-N
XLogP3.17
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]-2-(1H-indazol-4-yl)acetonitrile
CID 171473596
2-(4-chlorophenyl)-2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile
CID 166108418
2-(3,5-difluorophenyl)-2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile
CID 166108348
6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 91484720
1-[4-[cyano-(4-fluorophenyl)methylidene]piperidine-1-carbonyl]azetidine-3-carbonitrile
CID 166108409
2-(5-chloro-2-pyridinyl)-2-[1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidin-4-ylidene]acetonitrile
CID 166108523
2-[1-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)piperidin-4-ylidene]-2-(4-fluorophenyl)acetonitrile
CID 166108463
2-(5-chloro-2-pyridinyl)-2-[1-(imidazole-1-carbonyl)piperidin-4-ylidene]acetonitrile
CID 166108419
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 138043434
2-(3-chlorophenyl)-2-[1-(3-methylimidazol-3-ium-1-carbonyl)piperidin-4-ylidene]acetonitrile
CID 166108290
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanenitrile
CID 28705418
(3,4-difluorophenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798837

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile?
The IUPAC name of 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile (CID 166108437) is 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile is N#CC(=C1CCN(C(=O)N2CCn3cncc3C2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile?
The InChIKey is PQWCAUNIQRJYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-18-2-1-15(9-19(18)22)17(10-23)14-3-5-25(6-4-14)20(28)26-7-8-27-13-24-11-16(27)12-26/h1-2,9,11,13H,3-8,12H2.
What are the key properties of 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile?
2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile has a molecular weight of 383.40 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-[1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)piperidin-4-ylidene]acetonitrile is sourced from PubChem (CID 166108437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).