3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine

C17H18N4O — CID 86710928

IUPAC3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
SMILESNc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C17H18N4O/c18-13-3-6-16-15(11-13)17(20-19-16)12-1-4-14(5-2-12)21-7-9-22-10-8-21/h1-6,11H,7-10,18H2,(H,19,20)
InChIKeyGAQRRGBFZBCSDA-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.65
Rot. Bonds2

About 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine

3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine (PubChem CID 86710928) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
PubChem CID86710928
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
SMILESNc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C17H18N4O/c18-13-3-6-16-15(11-13)17(20-19-16)12-1-4-14(5-2-12)21-7-9-22-10-8-21/h1-6,11H,7-10,18H2,(H,19,20)
InChIKeyGAQRRGBFZBCSDA-UHFFFAOYSA-N
XLogP2.65
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine?
The IUPAC name of 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine (CID 86710928) is 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine.
What is the SMILES notation for 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine?
The canonical SMILES for 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine is Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1.
What is the InChIKey of 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine?
The InChIKey is GAQRRGBFZBCSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-13-3-6-16-15(11-13)17(20-19-16)12-1-4-14(5-2-12)21-7-9-22-10-8-21/h1-6,11H,7-10,18H2,(H,19,20).
What are the key properties of 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine?
3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine has a molecular weight of 294.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine is sourced from PubChem (CID 86710928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).