1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea

C21H22N6O2 — CID 69062294

IUPAC1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
SMILESCOc1cccc(-c2ccc3c(NC(=O)NCCCn4ccnc4)n[nH]c3c2)c1
InChIInChI=1S/C21H22N6O2/c1-29-17-5-2-4-15(12-17)16-6-7-18-19(13-16)25-26-20(18)24-21(28)23-8-3-10-27-11-9-22-14-27/h2,4-7,9,11-14H,3,8,10H2,1H3,(H3,23,24,25,26,28)
InChIKeyOAEQYAXXHGQXHP-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.65
Rot. Bonds7

About 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea

1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea (PubChem CID 69062294) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
PubChem CID69062294
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
SMILESCOc1cccc(-c2ccc3c(NC(=O)NCCCn4ccnc4)n[nH]c3c2)c1
InChIInChI=1S/C21H22N6O2/c1-29-17-5-2-4-15(12-17)16-6-7-18-19(13-16)25-26-20(18)24-21(28)23-8-3-10-27-11-9-22-14-27/h2,4-7,9,11-14H,3,8,10H2,1H3,(H3,23,24,25,26,28)
InChIKeyOAEQYAXXHGQXHP-UHFFFAOYSA-N
XLogP3.65
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
CID 69069520
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
CID 162674603
N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6314230
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
CID 43904679
1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea
CID 69064539
(E)-N-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 27397163
N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide
CID 69064173
1-(cyclopropylmethyl)-3-[6-(4-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69061513
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69061205
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea (CID 69062294) is 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea is COc1cccc(-c2ccc3c(NC(=O)NCCCn4ccnc4)n[nH]c3c2)c1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea?
The InChIKey is OAEQYAXXHGQXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-29-17-5-2-4-15(12-17)16-6-7-18-19(13-16)25-26-20(18)24-21(28)23-8-3-10-27-11-9-22-14-27/h2,4-7,9,11-14H,3,8,10H2,1H3,(H3,23,24,25,26,28).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea?
1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea has a molecular weight of 390.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea is sourced from PubChem (CID 69062294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).