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

C25H20FN5OS — CID 90966932

IUPAC1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea
SMILESNc1n[nH]c2c(-c3ccsc3)ccc(-c3ccc(NC(=O)Nc4ccccc4CF)cc3)c12
InChIInChI=1S/C25H20FN5OS/c26-13-16-3-1-2-4-21(16)29-25(32)28-18-7-5-15(6-8-18)19-9-10-20(17-11-12-33-14-17)23-22(19)24(27)31-30-23/h1-12,14H,13H2,(H3,27,30,31)(H2,28,29,32)
InChIKeyQFJSPZRQRSIYTL-UHFFFAOYSA-N
MW457.53 g/mol
LogP6.65
Rot. Bonds5

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

1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea (PubChem CID 90966932) 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-(fluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea
PubChem CID90966932
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-(fluoromethyl)phenyl]urea
SMILESNc1n[nH]c2c(-c3ccsc3)ccc(-c3ccc(NC(=O)Nc4ccccc4CF)cc3)c12
InChIInChI=1S/C25H20FN5OS/c26-13-16-3-1-2-4-21(16)29-25(32)28-18-7-5-15(6-8-18)19-9-10-20(17-11-12-33-14-17)23-22(19)24(27)31-30-23/h1-12,14H,13H2,(H3,27,30,31)(H2,28,29,32)
InChIKeyQFJSPZRQRSIYTL-UHFFFAOYSA-N
XLogP6.65
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]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-1H-indazol-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 11154134
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-phenylurea
CID 11244819
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea (CID 90966932) is 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea is Nc1n[nH]c2c(-c3ccsc3)ccc(-c3ccc(NC(=O)Nc4ccccc4CF)cc3)c12.
What is the InChIKey of 1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea?
The InChIKey is QFJSPZRQRSIYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5OS/c26-13-16-3-1-2-4-21(16)29-25(32)28-18-7-5-15(6-8-18)19-9-10-20(17-11-12-33-14-17)23-22(19)24(27)31-30-23/h1-12,14H,13H2,(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-(fluoromethyl)phenyl]urea?
1-[4-(3-amino-7-thiophen-3-yl-1H-indazol-4-yl)phenyl]-3-[2-(fluoromethyl)phenyl]urea has a molecular weight of 457.53 g/mol, XLogP of 6.65, 5 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-(fluoromethyl)phenyl]urea is sourced from PubChem (CID 90966932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).