1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea

C28H24ClN5O2 — CID 66681736

IUPAC1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(COc4ccc(Cl)cc4)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C28H24ClN5O2/c1-17-3-2-4-22(15-17)32-28(35)31-21-10-5-18(6-11-21)24-14-7-19(26-25(24)27(30)34-33-26)16-36-23-12-8-20(29)9-13-23/h2-15H,16H2,1H3,(H3,30,33,34)(H2,31,32,35)
InChIKeyAZRIYEQYTKAJJM-UHFFFAOYSA-N
MW497.99 g/mol
LogP7.00
Rot. Bonds6

About 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea

1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea (PubChem CID 66681736) has the molecular formula C28H24ClN5O2 and a molecular weight of 497.99 g/mol. Its IUPAC name is 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
PubChem CID66681736
Molecular FormulaC28H24ClN5O2
Molecular Weight497.99 g/mol
Exact Mass497.16
IUPAC Name1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(COc4ccc(Cl)cc4)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C28H24ClN5O2/c1-17-3-2-4-22(15-17)32-28(35)31-21-10-5-18(6-11-21)24-14-7-19(26-25(24)27(30)34-33-26)16-36-23-12-8-20(29)9-13-23/h2-15H,16H2,1H3,(H3,30,33,34)(H2,31,32,35)
InChIKeyAZRIYEQYTKAJJM-UHFFFAOYSA-N
XLogP7.00
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.99
LogP ≤ 57.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 66680417
1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-1-[3-(aminomethyl)-4-fluorophenyl]urea
CID 174506998
1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11166445
1-[4-[3-amino-7-[2-(dimethylamino)ethoxy]-1H-indazol-4-yl]phenyl]-3-(3-bromophenyl)urea
CID 66682276
1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;toluene
CID 159650775
1-[4-[3-amino-7-(3-pyridin-4-ylpropoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 66680959
1-[4-[3-amino-7-[2-(diethylamino)ethoxy]-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 66680975
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 841025
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
1-[4-[3-amino-7-(3-amino-3-methylbutoxy)-1H-indazol-4-yl]naphthalen-1-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[4-[3-amino-7-(3-amino-3-methylbutoxy)-1H-indazol-4-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea
CID 161366958
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea (CID 66681736) is 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3ccc(COc4ccc(Cl)cc4)c4[nH]nc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The InChIKey is AZRIYEQYTKAJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O2/c1-17-3-2-4-22(15-17)32-28(35)31-21-10-5-18(6-11-21)24-14-7-19(26-25(24)27(30)34-33-26)16-36-23-12-8-20(29)9-13-23/h2-15H,16H2,1H3,(H3,30,33,34)(H2,31,32,35).
What are the key properties of 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea has a molecular weight of 497.99 g/mol, XLogP of 7.00, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 66681736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).