1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine

C25H26N4O2 — CID 117075286

IUPAC1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine
SMILESc1ccc(Nc2ccc3c(cnn3-c3cccc(OCCN4CCOCC4)c3)c2)cc1
InChIInChI=1S/C25H26N4O2/c1-2-5-21(6-3-1)27-22-9-10-25-20(17-22)19-26-29(25)23-7-4-8-24(18-23)31-16-13-28-11-14-30-15-12-28/h1-10,17-19,27H,11-16H2
InChIKeyQGBBVTVDOAIHLO-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.48
Rot. Bonds7

About 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine

1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine (PubChem CID 117075286) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine.

Molecular Properties

Compound Name1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine
PubChem CID117075286
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine
SMILESc1ccc(Nc2ccc3c(cnn3-c3cccc(OCCN4CCOCC4)c3)c2)cc1
InChIInChI=1S/C25H26N4O2/c1-2-5-21(6-3-1)27-22-9-10-25-20(17-22)19-26-29(25)23-7-4-8-24(18-23)31-16-13-28-11-14-30-15-12-28/h1-10,17-19,27H,11-16H2
InChIKeyQGBBVTVDOAIHLO-UHFFFAOYSA-N
XLogP4.48
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine
CID 9816808
1-{1-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
CID 11397595
N-(4-phenoxyphenyl)-N''-[1-(2-piperidin-1-ylethyl)-1H-indazol-5-yl]urea
CID 11408441
1-{1-[3-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-propyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
CID 44402505
1-{1-[3-(4-Hydroxy-piperidin-1-yl)-propyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
CID 44402567
3-[5-(2-methoxyanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602769
(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
CID 127032086
tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate
CID 127046804
N-(2-methylindazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155532506
N-(1-methylindazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155533667
4-[4-[6-(2-Fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine
CID 162676205
1-Benzyl-3-phenylmethoxyindazol-5-amine
CID 51357868

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine?
The IUPAC name of 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine (CID 117075286) is 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine.
What is the SMILES notation for 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine?
The canonical SMILES for 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine is c1ccc(Nc2ccc3c(cnn3-c3cccc(OCCN4CCOCC4)c3)c2)cc1.
What is the InChIKey of 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine?
The InChIKey is QGBBVTVDOAIHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-5-21(6-3-1)27-22-9-10-25-20(17-22)19-26-29(25)23-7-4-8-24(18-23)31-16-13-28-11-14-30-15-12-28/h1-10,17-19,27H,11-16H2.
What are the key properties of 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine?
1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine has a molecular weight of 414.51 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine is sourced from PubChem (CID 117075286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).