(2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide

C18H18F5N5O — CID 59912798

IUPAC(2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(N)cc2F)CCN1C(=O)Nc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C18H18F5N5O/c1-10-9-27(16-15(20)6-11(24)8-25-16)4-5-28(10)17(29)26-12-2-3-13(14(19)7-12)18(21,22)23/h2-3,6-8,10H,4-5,9,24H2,1H3,(H,26,29)/t10-/m1/s1
InChIKeyQNJOFOCVVSTYFC-SNVBAGLBSA-N
MW415.37 g/mol
LogP3.70
Rot. Bonds2

About (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide

(2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide (PubChem CID 59912798) has the molecular formula C18H18F5N5O and a molecular weight of 415.37 g/mol. Its IUPAC name is (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
PubChem CID59912798
Molecular FormulaC18H18F5N5O
Molecular Weight415.37 g/mol
Exact Mass415.14
IUPAC Name(2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(N)cc2F)CCN1C(=O)Nc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C18H18F5N5O/c1-10-9-27(16-15(20)6-11(24)8-25-16)4-5-28(10)17(29)26-12-2-3-13(14(19)7-12)18(21,22)23/h2-3,6-8,10H,4-5,9,24H2,1H3,(H,26,29)/t10-/m1/s1
InChIKeyQNJOFOCVVSTYFC-SNVBAGLBSA-N
XLogP3.70
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-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

2-methyl-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430396
(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide
CID 51349069
4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
CID 91007124
(2R)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;methane
CID 160959250
N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
CID 119046286
N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 22727570
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 85148067
(2S)-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 67344381
(2R)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 95788899
(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 97444960
4-[3-chloro-5-(1-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 90205997
4-(cyclopropanecarbonyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 74246966

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide (CID 59912798) is (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide is C[C@@H]1CN(c2ncc(N)cc2F)CCN1C(=O)Nc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide?
The InChIKey is QNJOFOCVVSTYFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18F5N5O/c1-10-9-27(16-15(20)6-11(24)8-25-16)4-5-28(10)17(29)26-12-2-3-13(14(19)7-12)18(21,22)23/h2-3,6-8,10H,4-5,9,24H2,1H3,(H,26,29)/t10-/m1/s1.
What are the key properties of (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide?
(2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide has a molecular weight of 415.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 59912798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).