1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea

C22H19F2N5O2 — CID 11247251

IUPAC1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(CO)c(F)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C22H19F2N5O2/c1-11-2-7-16(23)17(8-11)27-22(31)26-14-5-3-12(4-6-14)15-9-13(10-30)19(24)20-18(15)21(25)29-28-20/h2-9,30H,10H2,1H3,(H3,25,28,29)(H2,26,27,31)
InChIKeyWBAWCNRBKDEMDU-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.54
Rot. Bonds4

About 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea

1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 11247251) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
PubChem CID11247251
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(CO)c(F)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C22H19F2N5O2/c1-11-2-7-16(23)17(8-11)27-22(31)26-14-5-3-12(4-6-14)15-9-13(10-30)19(24)20-18(15)21(25)29-28-20/h2-9,30H,10H2,1H3,(H3,25,28,29)(H2,26,27,31)
InChIKeyWBAWCNRBKDEMDU-UHFFFAOYSA-N
XLogP4.54
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Linifanib
CID 11485656
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-(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
1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-3-(3-methylphenyl)urea
CID 11176299
1-[4-(3-amino-5-fluoro-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 49830355
1-[4-(3-amino-5-fluoro-1H-indazol-4-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 49830385
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-[2-fluoro-5-(hydroxymethyl)phenyl]urea
CID 49830670
1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 49830672
ABT-869 acid metabolite A-849529
CID 49830673
1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 49830786

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea (CID 11247251) is 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(CO)c(F)c4[nH]nc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is WBAWCNRBKDEMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-11-2-7-16(23)17(8-11)27-22(31)26-14-5-3-12(4-6-14)15-9-13(10-30)19(24)20-18(15)21(25)29-28-20/h2-9,30H,10H2,1H3,(H3,25,28,29)(H2,26,27,31).
What are the key properties of 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 423.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-7-fluoro-6-(hydroxymethyl)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 11247251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).