1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea

C22H17F3N4O2 — CID 46890561

IUPAC1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1Oc1ccccc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)15-10-9-14(20(11-15)31-16-5-2-1-3-6-16)12-26-21(30)28-18-7-4-8-19-17(18)13-27-29-19/h1-11,13H,12H2,(H,27,29)(H2,26,28,30)
InChIKeyDJEDNXJNAJTTJM-UHFFFAOYSA-N
MW426.40 g/mol
LogP5.70
Rot. Bonds5

About 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea

1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 46890561) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID46890561
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1Oc1ccccc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)15-10-9-14(20(11-15)31-16-5-2-1-3-6-16)12-26-21(30)28-18-7-4-8-19-17(18)13-27-29-19/h1-11,13H,12H2,(H,27,29)(H2,26,28,30)
InChIKeyDJEDNXJNAJTTJM-UHFFFAOYSA-N
XLogP5.70
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea with MolForge

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Related Compounds

3-1H-indazol-4-yl-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11382514
3-(1-methyl-1H-indazol-4-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11405844
1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11290223
1-(8-cyclohexylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11516653
1-(1H-indazol-4-yl)-3-(8-(trifluoromethyl)chroman-4-yl)urea
CID 11603236
1-(chroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11638123
1-(7-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11646277
1-(8-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11653471
1-(1H-indazol-4-yl)-3-(7-(trifluoromethoxy)chroman-4-yl)urea
CID 11654024
1-(1H-indazol-4-yl)-3-(8-(trifluoromethoxy)chroman-4-yl)urea
CID 11668297
1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11669102
1-(1H-indazol-4-yl)-3-(8-morpholinochroman-4-yl)urea
CID 11696849

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea (CID 46890561) is 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)cc1Oc1ccccc1)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is DJEDNXJNAJTTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c23-22(24,25)15-10-9-14(20(11-15)31-16-5-2-1-3-6-16)12-26-21(30)28-18-7-4-8-19-17(18)13-27-29-19/h1-11,13H,12H2,(H,27,29)(H2,26,28,30).
What are the key properties of 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea?
1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 426.40 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[[2-phenoxy-4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 46890561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).