1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea

C20H14F4N6O — CID 164618807

IUPAC1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
SMILESCn1ccc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4F)cc3n2)n1
InChIInChI=1S/C20H14F4N6O/c1-30-8-7-14(29-30)17-10-25-13-6-5-11(9-16(13)27-17)26-19(31)28-15-4-2-3-12(18(15)21)20(22,23)24/h2-10H,1H3,(H2,26,28,31)
InChIKeyNARCTIYPIJSOJN-UHFFFAOYSA-N
MW430.37 g/mol
LogP4.83
Rot. Bonds3

About 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea

1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea (PubChem CID 164618807) has the molecular formula C20H14F4N6O and a molecular weight of 430.37 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
PubChem CID164618807
Molecular FormulaC20H14F4N6O
Molecular Weight430.37 g/mol
Exact Mass430.12
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
SMILESCn1ccc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4F)cc3n2)n1
InChIInChI=1S/C20H14F4N6O/c1-30-8-7-14(29-30)17-10-25-13-6-5-11(9-16(13)27-17)26-19(31)28-15-4-2-3-12(18(15)21)20(22,23)24/h2-10H,1H3,(H2,26,28,31)
InChIKeyNARCTIYPIJSOJN-UHFFFAOYSA-N
XLogP4.83
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671062
1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53236674
1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea
CID 53236676
1-Tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53239593
7-(2-(2,5-difluorophenyl)pyridin-4-ylamino)-N-ethyl-1H-pyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670783
7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670784
1-[4-(4-Isopentyltriazol-1-yl)phenyl]-3-(5-isoquinolyl)urea
CID 122455385
1-[4-(3-Amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 44455758
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-isoquinolin-5-ylurea
CID 162649148
1-Isoquinolin-6-yl-3-[4-[4-(2-methylpropyl)triazol-1-yl]phenyl]urea
CID 168299392
1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-phenylurea
CID 53236443
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(4-pyrazolo[3,4-c]pyridin-1-ylphenyl)urea
CID 53492169

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea (CID 164618807) is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea is Cn1ccc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4F)cc3n2)n1.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
The InChIKey is NARCTIYPIJSOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N6O/c1-30-8-7-14(29-30)17-10-25-13-6-5-11(9-16(13)27-17)26-19(31)28-15-4-2-3-12(18(15)21)20(22,23)24/h2-10H,1H3,(H2,26,28,31).
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea has a molecular weight of 430.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea is sourced from PubChem (CID 164618807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).