1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea

C22H15F6N5O — CID 122195171

IUPAC1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
SMILESNc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)c12
InChIInChI=1S/C22H15F6N5O/c23-21(24,25)12-8-13(22(26,27)28)10-15(9-12)31-20(34)30-14-4-1-3-11(7-14)16-5-2-6-17-18(16)19(29)33-32-17/h1-10H,(H3,29,32,33)(H2,30,31,34)
InChIKeyJPDZNMLWCXAWNI-UHFFFAOYSA-N
MW479.38 g/mol
LogP6.49
Rot. Bonds3

About 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea

1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea (PubChem CID 122195171) has the molecular formula C22H15F6N5O and a molecular weight of 479.38 g/mol. Its IUPAC name is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
PubChem CID122195171
Molecular FormulaC22H15F6N5O
Molecular Weight479.38 g/mol
Exact Mass479.12
IUPAC Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
SMILESNc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)c12
InChIInChI=1S/C22H15F6N5O/c23-21(24,25)12-8-13(22(26,27)28)10-15(9-12)31-20(34)30-14-4-1-3-11(7-14)16-5-2-6-17-18(16)19(29)33-32-17/h1-10H,(H3,29,32,33)(H2,30,31,34)
InChIKeyJPDZNMLWCXAWNI-UHFFFAOYSA-N
XLogP6.49
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.38
LogP ≤ 56.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

Linifanib
CID 11485656
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539603
N-(6-(4-fluorophenyl)-1H-indazol-3-yl)butyramide
CID 22319694
1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 118726120
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 122195163
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 122195173
1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 137658885
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 11154134
N-[4-(3-amino-1-methyl-1H-indazol-4-yl)-phenyl]-N''-(3-methylphenyl)urea
CID 11176194
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-bromophenyl)urea
CID 11177668
1-(4-(3-amino-7-((4-methylpiperazin-1-yl)methyl)-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11178869
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-phenylurea
CID 11244819

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea (CID 122195171) is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea is Nc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)c12.
What is the InChIKey of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea?
The InChIKey is JPDZNMLWCXAWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N5O/c23-21(24,25)12-8-13(22(26,27)28)10-15(9-12)31-20(34)30-14-4-1-3-11(7-14)16-5-2-6-17-18(16)19(29)33-32-17/h1-10H,(H3,29,32,33)(H2,30,31,34).
What are the key properties of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea?
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea has a molecular weight of 479.38 g/mol, XLogP of 6.49, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 122195171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).