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

C20H15F3N6O — CID 164612390

IUPAC1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1ccc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3n2)n1
InChIInChI=1S/C20H15F3N6O/c1-29-8-7-16(28-29)18-11-24-15-6-5-14(10-17(15)27-18)26-19(30)25-13-4-2-3-12(9-13)20(21,22)23/h2-11H,1H3,(H2,25,26,30)
InChIKeyYFFFDRKUCBLQKQ-UHFFFAOYSA-N
MW412.38 g/mol
LogP4.69
Rot. Bonds3

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

1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 164612390) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID164612390
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1ccc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3n2)n1
InChIInChI=1S/C20H15F3N6O/c1-29-8-7-16(28-29)18-11-24-15-6-5-14(10-17(15)27-18)26-19(30)25-13-4-2-3-12(9-13)20(21,22)23/h2-11H,1H3,(H2,25,26,30)
InChIKeyYFFFDRKUCBLQKQ-UHFFFAOYSA-N
XLogP4.69
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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)-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-(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
N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea
CID 11676233
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
1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 66900566
3-N-(cyclopropylmethyl)-1-N-methyl-3-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]benzene-1,3-diamine
CID 68208796

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 164612390) is 1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is Cn1ccc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3n2)n1.
What is the InChIKey of 1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is YFFFDRKUCBLQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c1-29-8-7-16(28-29)18-11-24-15-6-5-14(10-17(15)27-18)26-19(30)25-13-4-2-3-12(9-13)20(21,22)23/h2-11H,1H3,(H2,25,26,30).
What are the key properties of 1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 412.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 164612390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).