1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea

C21H14F5N5O — CID 174506975

IUPAC1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)N(c1ccc(-c2cccc3[nH]nc(N)c23)c(F)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C21H14F5N5O/c22-15-7-5-10(8-14(15)21(24,25)26)31(20(28)32)11-4-6-12(16(23)9-11)13-2-1-3-17-18(13)19(27)30-29-17/h1-9H,(H2,28,32)(H3,27,29,30)
InChIKeyDPWYCKQTVWIWGI-UHFFFAOYSA-N
MW447.37 g/mol
LogP5.33
Rot. Bonds3

About 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea

1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea (PubChem CID 174506975) has the molecular formula C21H14F5N5O and a molecular weight of 447.37 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea
PubChem CID174506975
Molecular FormulaC21H14F5N5O
Molecular Weight447.37 g/mol
Exact Mass447.11
IUPAC Name1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)N(c1ccc(-c2cccc3[nH]nc(N)c23)c(F)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C21H14F5N5O/c22-15-7-5-10(8-14(15)21(24,25)26)31(20(28)32)11-4-6-12(16(23)9-11)13-2-1-3-17-18(13)19(27)30-29-17/h1-9H,(H2,28,32)(H3,27,29,30)
InChIKeyDPWYCKQTVWIWGI-UHFFFAOYSA-N
XLogP5.33
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.37
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-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-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea
CID 150521477
1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 70893598
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea
CID 174507017
1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 174506958
1-[4-(3-amino-1H-indazol-4-yl)-2-(trifluoromethoxy)phenyl]-1-[5-(aminomethyl)-2-fluorophenyl]urea
CID 174492200
1-[4-(3-amino-5-fluoro-1H-indazol-4-yl)phenyl]-1-[3-(aminomethyl)-4-fluorophenyl]urea
CID 174506968
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]urea
CID 25001134
1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea
CID 140970670
1-[3-(aminomethyl)-4-fluorophenyl]-1-[4-(3-amino-7-pyridin-3-yl-1H-indazol-4-yl)phenyl]urea
CID 174507048
1-[3-(aminomethyl)-4-fluorophenyl]-1-[4-(3-amino-7-pyridin-4-yl-1H-indazol-4-yl)phenyl]urea
CID 174492333
1-[4-(3-amino-7-pyridin-3-yl-1H-indazol-4-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 66681573
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 24896119

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea (CID 174506975) is 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea is NC(=O)N(c1ccc(-c2cccc3[nH]nc(N)c23)c(F)c1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is DPWYCKQTVWIWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N5O/c22-15-7-5-10(8-14(15)21(24,25)26)31(20(28)32)11-4-6-12(16(23)9-11)13-2-1-3-17-18(13)19(27)30-29-17/h1-9H,(H2,28,32)(H3,27,29,30).
What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 447.37 g/mol, XLogP of 5.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 174506975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).