2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone

C30H32N4O2 — CID 153223096

IUPAC2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1
InChIInChI=1S/C30H32N4O2/c31-27-10-8-23(21-4-2-1-3-5-21)18-25(27)20-29(35)24-9-11-28-26(19-24)30(22-6-7-22)32-34(28)13-12-33-14-16-36-17-15-33/h1-5,8-11,18-19,22H,6-7,12-17,20,31H2
InChIKeyWOBJYOQUXYVPMM-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.92
Rot. Bonds8

About 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone

2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone (PubChem CID 153223096) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone
PubChem CID153223096
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1
InChIInChI=1S/C30H32N4O2/c31-27-10-8-23(21-4-2-1-3-5-21)18-25(27)20-29(35)24-9-11-28-26(19-24)30(22-6-7-22)32-34(28)13-12-33-14-16-36-17-15-33/h1-5,8-11,18-19,22H,6-7,12-17,20,31H2
InChIKeyWOBJYOQUXYVPMM-UHFFFAOYSA-N
XLogP4.92
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 11703677
CID 45264034
CID 45264034
CID 127026648
CID 127026648
CID 76284327
CID 76284327
CID 90116029
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CID 90329656

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone (CID 153223096) is 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone is Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone?
The InChIKey is WOBJYOQUXYVPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c31-27-10-8-23(21-4-2-1-3-5-21)18-25(27)20-29(35)24-9-11-28-26(19-24)30(22-6-7-22)32-34(28)13-12-33-14-16-36-17-15-33/h1-5,8-11,18-19,22H,6-7,12-17,20,31H2.
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone?
2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone has a molecular weight of 480.61 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone is sourced from PubChem (CID 153223096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).