1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea

C16H15FN4O — CID 74763932

IUPAC1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea
SMILESCc1c2ccc(NC(=O)Nc3ccc(F)cc3)cc2nn1C
InChIInChI=1S/C16H15FN4O/c1-10-14-8-7-13(9-15(14)20-21(10)2)19-16(22)18-12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H2,18,19,22)
InChIKeyFBOCKYLSKOYQNY-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.66
Rot. Bonds2

About 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea

1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea (PubChem CID 74763932) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea
PubChem CID74763932
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea
SMILESCc1c2ccc(NC(=O)Nc3ccc(F)cc3)cc2nn1C
InChIInChI=1S/C16H15FN4O/c1-10-14-8-7-13(9-15(14)20-21(10)2)19-16(22)18-12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H2,18,19,22)
InChIKeyFBOCKYLSKOYQNY-UHFFFAOYSA-N
XLogP3.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 74763930
1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea
CID 74763951
1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea
CID 141356343
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 74763948
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603
6-fluoro-2-methylindazole-3-carboxylic acid
CID 84720247
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885076
5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
1-[3-[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 11495947
1-(1-methylbenzotriazol-5-yl)-3-(4-methylphenyl)urea
CID 894194

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea (CID 74763932) is 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea is Cc1c2ccc(NC(=O)Nc3ccc(F)cc3)cc2nn1C.
What is the InChIKey of 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea?
The InChIKey is FBOCKYLSKOYQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-10-14-8-7-13(9-15(14)20-21(10)2)19-16(22)18-12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H2,18,19,22).
What are the key properties of 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea?
1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea has a molecular weight of 298.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 74763932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).