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

C18H19FN4O2 — CID 58135536

IUPAC1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3OC)ccc12
InChIInChI=1S/C18H19FN4O2/c1-3-8-20-18(24)21-17-13-6-4-11(9-15(13)22-23-17)14-10-12(19)5-7-16(14)25-2/h4-7,9-10H,3,8H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyRIQRZXYXFJMUSR-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.91
Rot. Bonds5

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

1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea (PubChem CID 58135536) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea.

Molecular Properties

Compound Name1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea
PubChem CID58135536
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3OC)ccc12
InChIInChI=1S/C18H19FN4O2/c1-3-8-20-18(24)21-17-13-6-4-11(9-15(13)22-23-17)14-10-12(19)5-7-16(14)25-2/h4-7,9-10H,3,8H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyRIQRZXYXFJMUSR-UHFFFAOYSA-N
XLogP3.91
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.91
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
1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 70691934
1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 25197926
[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
1-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 145966734
4-N-hydroxy-1-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]benzene-1,4-dicarboxamide
CID 145977597
N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
CID 162643829

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea?
The IUPAC name of 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea (CID 58135536) is 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea.
What is the SMILES notation for 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea?
The canonical SMILES for 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea is CCCNC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3OC)ccc12.
What is the InChIKey of 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea?
The InChIKey is RIQRZXYXFJMUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-3-8-20-18(24)21-17-13-6-4-11(9-15(13)22-23-17)14-10-12(19)5-7-16(14)25-2/h4-7,9-10H,3,8H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea?
1-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-3-propylurea has a molecular weight of 342.37 g/mol, XLogP of 3.91, 5 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-propylurea is sourced from PubChem (CID 58135536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).