1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea

C24H24N4O2 — CID 69067411

IUPAC1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
SMILESCOc1ccc(-c2ccc3c(NC(=O)NCCCc4ccccc4)n[nH]c3c2)cc1
InChIInChI=1S/C24H24N4O2/c1-30-20-12-9-18(10-13-20)19-11-14-21-22(16-19)27-28-23(21)26-24(29)25-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H3,25,26,27,28,29)
InChIKeyKQLHMPWDWJQBBT-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.99
Rot. Bonds7

About 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea

1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea (PubChem CID 69067411) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
PubChem CID69067411
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
SMILESCOc1ccc(-c2ccc3c(NC(=O)NCCCc4ccccc4)n[nH]c3c2)cc1
InChIInChI=1S/C24H24N4O2/c1-30-20-12-9-18(10-13-20)19-11-14-21-22(16-19)27-28-23(21)26-24(29)25-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H3,25,26,27,28,29)
InChIKeyKQLHMPWDWJQBBT-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-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69061205
1-(cyclopropylmethyl)-3-[6-(4-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69061513
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea
CID 69070012
1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea
CID 69064539
1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69062294
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide
CID 69065644
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
CID 162674603
N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 69062932

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea (CID 69067411) is 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea is COc1ccc(-c2ccc3c(NC(=O)NCCCc4ccccc4)n[nH]c3c2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea?
The InChIKey is KQLHMPWDWJQBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-30-20-12-9-18(10-13-20)19-11-14-21-22(16-19)27-28-23(21)26-24(29)25-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H3,25,26,27,28,29).
What are the key properties of 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea?
1-[6-(4-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-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 69067411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).