1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea

C21H18FN5O — CID 11291799

IUPAC1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)cccc21
InChIInChI=1S/C21H18FN5O/c1-27-18-7-3-6-17(19(18)20(23)26-27)13-8-10-15(11-9-13)24-21(28)25-16-5-2-4-14(22)12-16/h2-12H,1H3,(H2,23,26)(H2,24,25,28)
InChIKeyFPXUISQRZUYYIC-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.61
Rot. Bonds3

About 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea

1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea (PubChem CID 11291799) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea
PubChem CID11291799
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)cccc21
InChIInChI=1S/C21H18FN5O/c1-27-18-7-3-6-17(19(18)20(23)26-27)13-8-10-15(11-9-13)24-21(28)25-16-5-2-4-14(22)12-16/h2-12H,1H3,(H2,23,26)(H2,24,25,28)
InChIKeyFPXUISQRZUYYIC-UHFFFAOYSA-N
XLogP4.61
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Linifanib
CID 11485656
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-naphthalen-1-ylurea
CID 23646852
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]-N'-phenylurea
CID 2812681
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
N-(2,4-dimethylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016793
N-(2,5-difluorophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510443
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-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea (CID 11291799) is 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea is Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)cccc21.
What is the InChIKey of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea?
The InChIKey is FPXUISQRZUYYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-27-18-7-3-6-17(19(18)20(23)26-27)13-8-10-15(11-9-13)24-21(28)25-16-5-2-4-14(22)12-16/h2-12H,1H3,(H2,23,26)(H2,24,25,28).
What are the key properties of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea?
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 375.41 g/mol, XLogP of 4.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 11291799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).