1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea

C20H24N4O2 — CID 58135449

IUPAC1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea
SMILESCOc1ccccc1-c1ccc2c(NC(=O)NCCC(C)C)n[nH]c2c1
InChIInChI=1S/C20H24N4O2/c1-13(2)10-11-21-20(25)22-19-16-9-8-14(12-17(16)23-24-19)15-6-4-5-7-18(15)26-3/h4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyDJSDRRKPWGCYGL-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.41
Rot. Bonds6

About 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea

1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea (PubChem CID 58135449) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea
PubChem CID58135449
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea
SMILESCOc1ccccc1-c1ccc2c(NC(=O)NCCC(C)C)n[nH]c2c1
InChIInChI=1S/C20H24N4O2/c1-13(2)10-11-21-20(25)22-19-16-9-8-14(12-17(16)23-24-19)15-6-4-5-7-18(15)26-3/h4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyDJSDRRKPWGCYGL-UHFFFAOYSA-N
XLogP4.41
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea (CID 58135449) is 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea is COc1ccccc1-c1ccc2c(NC(=O)NCCC(C)C)n[nH]c2c1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea?
The InChIKey is DJSDRRKPWGCYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(2)10-11-21-20(25)22-19-16-9-8-14(12-17(16)23-24-19)15-6-4-5-7-18(15)26-3/h4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25).
What are the key properties of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea?
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea has a molecular weight of 352.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 58135449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).