1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea

C20H15F3N6O2 — CID 142602260

IUPAC1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESCn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(OC(F)(F)F)c4)cc3n2)cn1
InChIInChI=1S/C20H15F3N6O2/c1-29-11-12(9-25-29)18-10-24-16-6-5-14(8-17(16)28-18)27-19(30)26-13-3-2-4-15(7-13)31-20(21,22)23/h2-11H,1H3,(H2,26,27,30)
InChIKeyLMPPMXHSGKLVKI-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.57
Rot. Bonds4

About 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea

1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea (PubChem CID 142602260) has the molecular formula C20H15F3N6O2 and a molecular weight of 428.37 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
PubChem CID142602260
Molecular FormulaC20H15F3N6O2
Molecular Weight428.37 g/mol
Exact Mass428.12
IUPAC Name1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESCn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(OC(F)(F)F)c4)cc3n2)cn1
InChIInChI=1S/C20H15F3N6O2/c1-29-11-12(9-25-29)18-10-24-16-6-5-14(8-17(16)28-18)27-19(30)26-13-3-2-4-15(7-13)31-20(21,22)23/h2-11H,1H3,(H2,26,27,30)
InChIKeyLMPPMXHSGKLVKI-UHFFFAOYSA-N
XLogP4.57
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 158138883
1-[4-[2-(2-aminoethoxy)ethoxy]-3-bromophenyl]-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea
CID 171060057
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 134809370
tert-butyl N-[2-[2-[2-bromo-4-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]carbamoylamino]phenoxy]ethoxy]ethyl]carbamate
CID 171060034
3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90135466
1-[3-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58917270
1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 142716778
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
1-(3-ethynylphenyl)-3-[3-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 58917229
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 23649362

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea (CID 142602260) is 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea is Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(OC(F)(F)F)c4)cc3n2)cn1.
What is the InChIKey of 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
The InChIKey is LMPPMXHSGKLVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2/c1-29-11-12(9-25-29)18-10-24-16-6-5-14(8-17(16)28-18)27-19(30)26-13-3-2-4-15(7-13)31-20(21,22)23/h2-11H,1H3,(H2,26,27,30).
What are the key properties of 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea has a molecular weight of 428.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 142602260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).