1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea

C16H14F2N4O2 — CID 2811425

IUPAC1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea
SMILESCOc1cccc2c1c(NC(=O)Nc1ccc(F)cc1F)nn2C
InChIInChI=1S/C16H14F2N4O2/c1-22-12-4-3-5-13(24-2)14(12)15(21-22)20-16(23)19-11-7-6-9(17)8-10(11)18/h3-8H,1-2H3,(H2,19,20,21,23)
InChIKeyGWZUXEHEAITRAE-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.50
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea

1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea (PubChem CID 2811425) has the molecular formula C16H14F2N4O2 and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea
PubChem CID2811425
Molecular FormulaC16H14F2N4O2
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC Name1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea
SMILESCOc1cccc2c1c(NC(=O)Nc1ccc(F)cc1F)nn2C
InChIInChI=1S/C16H14F2N4O2/c1-22-12-4-3-5-13(24-2)14(12)15(21-22)20-16(23)19-11-7-6-9(17)8-10(11)18/h3-8H,1-2H3,(H2,19,20,21,23)
InChIKeyGWZUXEHEAITRAE-UHFFFAOYSA-N
XLogP3.50
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxy-1-Methyl-Indazol-3-Yl)-3-(2-Methoxyphenyl)urea
CID 2811427
N-(3-methoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510376
1-[1-Methyl-3-(trifluoromethyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-yl]-3-(2,4-difluorophenyl)urea
CID 2810117
N-[4-({[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino}methyl)phenyl]acetamide
CID 11269297
4-methoxy-1-methyl-N-(2-methyl-2-phenylpropyl)indazol-3-amine
CID 16050947
1-[1-Methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-yl]-3-(3-methoxyphenyl)urea
CID 2810120
3-Amino-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide
CID 25197780
3-Amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide
CID 25199443
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride
CID 53320511
[4-[[(4-methoxy-1-methylindazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate
CID 90645435
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]-N'-(2-methoxyphenyl)urea
CID 2812683

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea (CID 2811425) is 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea is COc1cccc2c1c(NC(=O)Nc1ccc(F)cc1F)nn2C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea?
The InChIKey is GWZUXEHEAITRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2/c1-22-12-4-3-5-13(24-2)14(12)15(21-22)20-16(23)19-11-7-6-9(17)8-10(11)18/h3-8H,1-2H3,(H2,19,20,21,23).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea?
1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea has a molecular weight of 332.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-methoxy-1-methylindazol-3-yl)urea is sourced from PubChem (CID 2811425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).