6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide

C21H18F3N3O4 — CID 143119993

IUPAC6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide
SMILESNC(=O)c1cn(C(CO)CO)c(=O)c(-c2cccc(-c3c(F)cccc3C(F)F)c2)n1
InChIInChI=1S/C21H18F3N3O4/c22-15-6-2-5-14(19(23)24)17(15)11-3-1-4-12(7-11)18-21(31)27(13(9-28)10-29)8-16(26-18)20(25)30/h1-8,13,19,28-29H,9-10H2,(H2,25,30)
InChIKeyMXSCQIOGDNQIBM-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.28
Rot. Bonds7

About 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide

6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide (PubChem CID 143119993) has the molecular formula C21H18F3N3O4 and a molecular weight of 433.39 g/mol. Its IUPAC name is 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide
PubChem CID143119993
Molecular FormulaC21H18F3N3O4
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC Name6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide
SMILESNC(=O)c1cn(C(CO)CO)c(=O)c(-c2cccc(-c3c(F)cccc3C(F)F)c2)n1
InChIInChI=1S/C21H18F3N3O4/c22-15-6-2-5-14(19(23)24)17(15)11-3-1-4-12(7-11)18-21(31)27(13(9-28)10-29)8-16(26-18)20(25)30/h1-8,13,19,28-29H,9-10H2,(H2,25,30)
InChIKeyMXSCQIOGDNQIBM-UHFFFAOYSA-N
XLogP2.28
TPSA118.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-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-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11518188
6-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11719762
4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
CID 119022721
4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carboxamide
CID 118851932
5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide
CID 68894810
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
1-[3-[2-fluoro-6-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
CID 53318774
2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 58872668
6-amino-5-(difluoromethyl)pyridine-2-carboxamide
CID 119001621
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
CID 11696778
1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 175934980
3-(2,6-difluorophenyl)phenol
CID 53218544

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide?
The IUPAC name of 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide (CID 143119993) is 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide.
What is the SMILES notation for 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide?
The canonical SMILES for 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide is NC(=O)c1cn(C(CO)CO)c(=O)c(-c2cccc(-c3c(F)cccc3C(F)F)c2)n1.
What is the InChIKey of 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide?
The InChIKey is MXSCQIOGDNQIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4/c22-15-6-2-5-14(19(23)24)17(15)11-3-1-4-12(7-11)18-21(31)27(13(9-28)10-29)8-16(26-18)20(25)30/h1-8,13,19,28-29H,9-10H2,(H2,25,30).
What are the key properties of 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide?
6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide is sourced from PubChem (CID 143119993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).