N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

C16H15F4N5O — CID 5102783

IUPACN-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1C(F)(F)F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H15F4N5O/c17-12-3-1-2-11(16(18,19)20)14(12)23-15(26)25-8-6-24(7-9-25)13-10-21-4-5-22-13/h1-5,10H,6-9H2,(H,23,26)
InChIKeyMQFWPCHLVZPGQT-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.99
Rot. Bonds2

About N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 5102783) has the molecular formula C16H15F4N5O and a molecular weight of 369.32 g/mol. Its IUPAC name is N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID5102783
Molecular FormulaC16H15F4N5O
Molecular Weight369.32 g/mol
Exact Mass369.12
IUPAC NameN-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1C(F)(F)F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H15F4N5O/c17-12-3-1-2-11(16(18,19)20)14(12)23-15(26)25-8-6-24(7-9-25)13-10-21-4-5-22-13/h1-5,10H,6-9H2,(H,23,26)
InChIKeyMQFWPCHLVZPGQT-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide 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

(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 74229078
4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 136576917
N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 3737109
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
N-(2,6-difluorophenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 71799286
N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 56823906
4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide
CID 138026062
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 136584811

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 5102783) is N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is O=C(Nc1c(F)cccc1C(F)(F)F)N1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is MQFWPCHLVZPGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N5O/c17-12-3-1-2-11(16(18,19)20)14(12)23-15(26)25-8-6-24(7-9-25)13-10-21-4-5-22-13/h1-5,10H,6-9H2,(H,23,26).
What are the key properties of N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 369.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 5102783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).