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

C24H24N4O2 — CID 69061205

IUPAC1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
SMILESCOc1ccccc1-c1ccc2c(NC(=O)NCCCc3ccccc3)n[nH]c2c1
InChIInChI=1S/C24H24N4O2/c1-30-22-12-6-5-11-19(22)18-13-14-20-21(16-18)27-28-23(20)26-24(29)25-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-14,16H,7,10,15H2,1H3,(H3,25,26,27,28,29)
InChIKeyQNEMBUIWEBXSJD-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.99
Rot. Bonds7

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

1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea (PubChem CID 69061205) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
PubChem CID69061205
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
SMILESCOc1ccccc1-c1ccc2c(NC(=O)NCCCc3ccccc3)n[nH]c2c1
InChIInChI=1S/C24H24N4O2/c1-30-22-12-6-5-11-19(22)18-13-14-20-21(16-18)27-28-23(20)26-24(29)25-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-14,16H,7,10,15H2,1H3,(H3,25,26,27,28,29)
InChIKeyQNEMBUIWEBXSJD-UHFFFAOYSA-N
XLogP4.99
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69067411
N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide
CID 69065644
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea
CID 69064539
1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)
CID 123593563
N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]cyclopentanecarboxamide
CID 69065075
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
1-(cyclopropylmethyl)-3-[6-(4-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69061513
2-methoxy-N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]acetamide
CID 69062660
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69070154

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea (CID 69061205) is 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea is COc1ccccc1-c1ccc2c(NC(=O)NCCCc3ccccc3)n[nH]c2c1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea?
The InChIKey is QNEMBUIWEBXSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-30-22-12-6-5-11-19(22)18-13-14-20-21(16-18)27-28-23(20)26-24(29)25-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-14,16H,7,10,15H2,1H3,(H3,25,26,27,28,29).
What are the key properties of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea?
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea has a molecular weight of 400.48 g/mol, XLogP of 4.99, 7 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-phenylpropyl)urea is sourced from PubChem (CID 69061205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).