1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

C25H20FN5OS — CID 66681564

IUPAC1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(-c4ccsc4)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C25H20FN5OS/c1-14-2-9-20(26)21(12-14)29-25(32)28-17-5-3-15(4-6-17)18-7-8-19(16-10-11-33-13-16)23-22(18)24(27)31-30-23/h2-13H,1H3,(H3,27,30,31)(H2,28,29,32)
InChIKeyPZNDGJYOHVKQCH-UHFFFAOYSA-N
MW457.53 g/mol
LogP6.63
Rot. Bonds4

About 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 66681564) has the molecular formula C25H20FN5OS and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
PubChem CID66681564
Molecular FormulaC25H20FN5OS
Molecular Weight457.53 g/mol
Exact Mass457.14
IUPAC Name1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(-c4ccsc4)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C25H20FN5OS/c1-14-2-9-20(26)21(12-14)29-25(32)28-17-5-3-15(4-6-17)18-7-8-19(16-10-11-33-13-16)23-22(18)24(27)31-30-23/h2-13H,1H3,(H3,27,30,31)(H2,28,29,32)
InChIKeyPZNDGJYOHVKQCH-UHFFFAOYSA-N
XLogP6.63
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea with MolForge

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Related Compounds

Linifanib
CID 11485656
N-(6-(thiophen-3-yl)-1H-indazol-3-yl)butyramide
CID 22319580
1-(4-(3-amino-7-fluoro-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11245809
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(thiophen-3-yl)urea
CID 11371508
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluorophenyl)urea
CID 11417108
N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N''-(3-fluorophenyl)-urea
CID 11428396
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(4-fluorophenyl)urea
CID 11473904
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 16124831
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(4-fluoro-3-methylphenyl)urea
CID 16125233
1-(4-(3-amino-7-methyl-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 16125380
N-[6-[5-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophen-2-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 164618982
1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-3-(3-methylphenyl)urea
CID 11176299

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (CID 66681564) is 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(-c4ccsc4)c4[nH]nc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is PZNDGJYOHVKQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5OS/c1-14-2-9-20(26)21(12-14)29-25(32)28-17-5-3-15(4-6-17)18-7-8-19(16-10-11-33-13-16)23-22(18)24(27)31-30-23/h2-13H,1H3,(H3,27,30,31)(H2,28,29,32).
What are the key properties of 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 457.53 g/mol, XLogP of 6.63, 4 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-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 66681564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).