N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide

C26H27N5O2 — CID 90116038

IUPACN-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C26H27N5O2/c27-23-8-6-20(19-4-2-1-3-5-19)17-24(23)29-26(32)21-7-9-25-22(16-21)18-28-31(25)11-10-30-12-14-33-15-13-30/h1-9,16-18H,10-15,27H2,(H,29,32)
InChIKeyABBMQAYQRRWEKO-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.87
Rot. Bonds6

About N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide

N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide (PubChem CID 90116038) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
PubChem CID90116038
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C26H27N5O2/c27-23-8-6-20(19-4-2-1-3-5-19)17-24(23)29-26(32)21-7-9-25-22(16-21)18-28-31(25)11-10-30-12-14-33-15-13-30/h1-9,16-18H,10-15,27H2,(H,29,32)
InChIKeyABBMQAYQRRWEKO-UHFFFAOYSA-N
XLogP3.87
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide (CID 90116038) is N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide?
The InChIKey is ABBMQAYQRRWEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c27-23-8-6-20(19-4-2-1-3-5-19)17-24(23)29-26(32)21-7-9-25-22(16-21)18-28-31(25)11-10-30-12-14-33-15-13-30/h1-9,16-18H,10-15,27H2,(H,29,32).
What are the key properties of N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide?
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide is sourced from PubChem (CID 90116038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).