1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea

C24H23FN4O2 — CID 58135452

IUPAC1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)NCC(C)c3ccccc3)n[nH]c2c1
InChIInChI=1S/C24H23FN4O2/c1-15(16-6-4-3-5-7-16)14-26-24(30)27-23-19-10-8-17(12-21(19)28-29-23)20-13-18(25)9-11-22(20)31-2/h3-13,15H,14H2,1-2H3,(H3,26,27,28,29,30)
InChIKeyRGJHMRFGFBHELW-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.30
Rot. Bonds6

About 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea

1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea (PubChem CID 58135452) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea
PubChem CID58135452
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)NCC(C)c3ccccc3)n[nH]c2c1
InChIInChI=1S/C24H23FN4O2/c1-15(16-6-4-3-5-7-16)14-26-24(30)27-23-19-10-8-17(12-21(19)28-29-23)20-13-18(25)9-11-22(20)31-2/h3-13,15H,14H2,1-2H3,(H3,26,27,28,29,30)
InChIKeyRGJHMRFGFBHELW-UHFFFAOYSA-N
XLogP5.30
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-N'-(4-methoxy-1-methyl-1H-indazol-3-yl)urea
CID 2811425
N-(4-{[(4-phenoxy-1H-indazol-3-yl)amino]methyl}phenyl)acetamide
CID 11257276
N-[4-({[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino}methyl)phenyl]acetamide
CID 11269297
N-(2,5-dimethoxybenzyl)-4-[4-fluorophenoxy]-1H-indazol-3-amine
CID 11486202
N-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162654484
N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162670414
N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162672531
[4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate
CID 90645436
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]urea
CID 122195474
1-cyclopropyl-3-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]urea
CID 137661314
3-amino-N-[3-[(4-methoxyphenyl)methylamino]-1H-indazol-5-yl]cyclohexane-1-carboxamide
CID 145959412

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea?
The IUPAC name of 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea (CID 58135452) is 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea.
What is the SMILES notation for 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea?
The canonical SMILES for 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea is COc1ccc(F)cc1-c1ccc2c(NC(=O)NCC(C)c3ccccc3)n[nH]c2c1.
What is the InChIKey of 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea?
The InChIKey is RGJHMRFGFBHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-15(16-6-4-3-5-7-16)14-26-24(30)27-23-19-10-8-17(12-21(19)28-29-23)20-13-18(25)9-11-22(20)31-2/h3-13,15H,14H2,1-2H3,(H3,26,27,28,29,30).
What are the key properties of 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea?
1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea has a molecular weight of 418.47 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-(2-phenylpropyl)urea is sourced from PubChem (CID 58135452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).