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

C27H28N4O2 — CID 149000250

IUPAC2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C27H28N4O2/c28-25-8-6-21(20-4-2-1-3-5-20)16-23(25)18-27(32)22-7-9-26-24(17-22)19-29-31(26)11-10-30-12-14-33-15-13-30/h1-9,16-17,19H,10-15,18,28H2
InChIKeyPZMVMGSYXUMBRX-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.04
Rot. Bonds7

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

2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone (PubChem CID 149000250) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone
PubChem CID149000250
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C27H28N4O2/c28-25-8-6-21(20-4-2-1-3-5-20)16-23(25)18-27(32)22-7-9-26-24(17-22)19-29-31(26)11-10-30-12-14-33-15-13-30/h1-9,16-17,19H,10-15,18,28H2
InChIKeyPZMVMGSYXUMBRX-UHFFFAOYSA-N
XLogP4.04
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.04
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

N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
CID 90116038
lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate
CID 164526522
2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone
CID 152898842
1-(2-morpholin-4-ylethyl)indazol-5-amine
CID 57416135
5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 153183619
2-(2-amino-5-phenylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 158909763
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-3-prop-2-enylindol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate
CID 160565573
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
3,7-bis(1-methylindazol-5-yl)-10-(2-morpholin-4-ylethyl)phenothiazine-5,5-dicarboxylic acid
CID 177251592
7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
CID 90128431
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone (CID 149000250) is 2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone is Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone?
The InChIKey is PZMVMGSYXUMBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c28-25-8-6-21(20-4-2-1-3-5-20)16-23(25)18-27(32)22-7-9-26-24(17-22)19-29-31(26)11-10-30-12-14-33-15-13-30/h1-9,16-17,19H,10-15,18,28H2.
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone?
2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone has a molecular weight of 440.55 g/mol, XLogP of 4.04, 7 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-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone is sourced from PubChem (CID 149000250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).