1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea

C21H18FN5O — CID 118158372

IUPAC1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1F
InChIInChI=1S/C21H18FN5O/c1-12-4-2-7-17(19(12)22)25-21(28)24-14-10-8-13(9-11-14)15-5-3-6-16-18(15)20(23)27-26-16/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
InChIKeyPZMSNEPSLWSYKG-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.90
Rot. Bonds3

About 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea (PubChem CID 118158372) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea
PubChem CID118158372
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1F
InChIInChI=1S/C21H18FN5O/c1-12-4-2-7-17(19(12)22)25-21(28)24-14-10-8-13(9-11-14)15-5-3-6-16-18(15)20(23)27-26-16/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
InChIKeyPZMSNEPSLWSYKG-UHFFFAOYSA-N
XLogP4.90
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]urea
CID 25001134
1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 11407313
1-[5-(3-amino-1H-indazol-4-yl)-2-pyridinyl]-3-(3-cyano-2-fluoro-5-methylphenyl)urea
CID 86567546
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
CID 11485553
methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate
CID 11219755
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
6-(3-amino-1H-indazol-4-yl)-N-(3-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 90644667
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea
CID 174507017
1-(2-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 97161924
1-[4-(3-amino-5-fluoro-1H-indazol-4-yl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 66681338
4-(4-methoxyphenyl)-1H-indazol-3-amine
CID 118046988
1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11166445

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea?
The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea (CID 118158372) is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1F.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea?
The InChIKey is PZMSNEPSLWSYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-12-4-2-7-17(19(12)22)25-21(28)24-14-10-8-13(9-11-14)15-5-3-6-16-18(15)20(23)27-26-16/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28).
What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea?
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea has a molecular weight of 375.41 g/mol, XLogP of 4.90, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea is sourced from PubChem (CID 118158372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).