1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea

C21H16F3N5O2 — CID 46890519

IUPAC1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H16F3N5O2/c22-21(23,24)18-10-9-13(19(28-18)31-14-5-2-1-3-6-14)11-25-20(30)27-16-7-4-8-17-15(16)12-26-29-17/h1-10,12H,11H2,(H,26,29)(H2,25,27,30)
InChIKeyZRNLGEOJZRGZBV-UHFFFAOYSA-N
MW427.39 g/mol
LogP5.09
Rot. Bonds5

About 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea

1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea (PubChem CID 46890519) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
PubChem CID46890519
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H16F3N5O2/c22-21(23,24)18-10-9-13(19(28-18)31-14-5-2-1-3-6-14)11-25-20(30)27-16-7-4-8-17-15(16)12-26-29-17/h1-10,12H,11H2,(H,26,29)(H2,25,27,30)
InChIKeyZRNLGEOJZRGZBV-UHFFFAOYSA-N
XLogP5.09
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.39
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]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-[[2-(2,2-dimethylpropoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(1H-indazol-4-yl)urea
CID 46890522
1-[[2-(3,3-dimethylbutyl)-4-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea
CID 46890601
1-(1H-indazol-4-yl)-3-[[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]urea
CID 162661041
1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 66644415
1-(1H-indazol-4-yl)-3-(naphthalen-1-ylmethyl)urea;methyl 4-(naphthalen-1-ylmethylcarbamoylamino)indazole-1-carboxylate
CID 157484667
1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea
CID 71237021
2-(2-aminophenyl)-N-(1H-indazol-4-yl)acetamide
CID 61117193
1-[[2-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(1H-indol-4-yl)urea
CID 71237056
1-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162663368
1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2,3-difluorophenyl]methyl]-3-(1H-indazol-4-yl)urea
CID 16749462
1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162660450
N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
CID 66418442

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea (CID 46890519) is 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The InChIKey is ZRNLGEOJZRGZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c22-21(23,24)18-10-9-13(19(28-18)31-14-5-2-1-3-6-14)11-25-20(30)27-16-7-4-8-17-15(16)12-26-29-17/h1-10,12H,11H2,(H,26,29)(H2,25,27,30).
What are the key properties of 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea has a molecular weight of 427.39 g/mol, XLogP of 5.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 46890519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).