4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C16H19ClF4N6O2 — CID 118008689

IUPAC4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOC1=CN(c2cnc(C(F)(F)F)cn2)C=CN1CNC(=O)C1CC(F)CN1.Cl
InChIInChI=1S/C16H18F4N6O2.ClH/c1-28-14-8-25(13-7-22-12(6-23-13)16(18,19)20)2-3-26(14)9-24-15(27)11-4-10(17)5-21-11;/h2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,24,27);1H
InChIKeyKZZGEZXTWXHIAE-UHFFFAOYSA-N
MW438.81 g/mol
LogP1.73
Rot. Bonds5

About 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 118008689) has the molecular formula C16H19ClF4N6O2 and a molecular weight of 438.81 g/mol. Its IUPAC name is 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID118008689
Molecular FormulaC16H19ClF4N6O2
Molecular Weight438.81 g/mol
Exact Mass438.12
IUPAC Name4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOC1=CN(c2cnc(C(F)(F)F)cn2)C=CN1CNC(=O)C1CC(F)CN1.Cl
InChIInChI=1S/C16H18F4N6O2.ClH/c1-28-14-8-25(13-7-22-12(6-23-13)16(18,19)20)2-3-26(14)9-24-15(27)11-4-10(17)5-21-11;/h2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,24,27);1H
InChIKeyKZZGEZXTWXHIAE-UHFFFAOYSA-N
XLogP1.73
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.81
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride 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

(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 126643496
(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 126643497
(2S,4R)-N-chloro-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 140318889
ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 156837542
4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 175776749
4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide
CID 118008690
N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 152085765
4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 156837543
3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide
CID 167895810
[1-(3,6-Dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177632
1-[3-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 62672350
1-[3-(aminomethyl)pyrazin-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 62672725

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 118008689) is 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is COC1=CN(c2cnc(C(F)(F)F)cn2)C=CN1CNC(=O)C1CC(F)CN1.Cl.
What is the InChIKey of 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KZZGEZXTWXHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N6O2.ClH/c1-28-14-8-25(13-7-22-12(6-23-13)16(18,19)20)2-3-26(14)9-24-15(27)11-4-10(17)5-21-11;/h2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,24,27);1H.
What are the key properties of 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 438.81 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 118008689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).