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

C94H101N9O6 — CID 158382751

IUPAC2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(CC1CC1)n2CCN1CCOCC1
InChIInChI=1S/C32H35N3O2.2C31H33N3O2/c33-30-10-8-25(24-4-2-1-3-5-24)19-27(30)22-32(36)26-9-11-31-28(20-26)21-29(18-23-6-7-23)35(31)13-12-34-14-16-37-17-15-34;32-28-10-8-24(22-4-2-1-3-5-22)18-26(28)21-31(35)25-9-11-29-27(19-25)20-30(23-6-7-23)34(29)13-12-33-14-16-36-17-15-33;32-29-10-8-24(22-4-2-1-3-5-22)18-26(29)20-31(35)25-9-11-30-27(19-25)28(23-6-7-23)21-34(30)13-12-33-14-16-36-17-15-33/h1-5,8-11,19-21,23H,6-7,12-18,22,33H2;1-5,8-11,18-20,23H,6-7,12-17,21,32H2;1-5,8-11,18-19,21,23H,6-7,12-17,20,32H2
InChIKeyGVZNWVXYORZXQB-UHFFFAOYSA-N
MW1452.90 g/mol
LogP16.65
Rot. Bonds25

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

2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone (PubChem CID 158382751) has the molecular formula C94H101N9O6 and a molecular weight of 1452.90 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone
PubChem CID158382751
Molecular FormulaC94H101N9O6
Molecular Weight1452.90 g/mol
Exact Mass1451.79
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(CC1CC1)n2CCN1CCOCC1
InChIInChI=1S/C32H35N3O2.2C31H33N3O2/c33-30-10-8-25(24-4-2-1-3-5-24)19-27(30)22-32(36)26-9-11-31-28(20-26)21-29(18-23-6-7-23)35(31)13-12-34-14-16-37-17-15-34;32-28-10-8-24(22-4-2-1-3-5-22)18-26(28)21-31(35)25-9-11-29-27(19-25)20-30(23-6-7-23)34(29)13-12-33-14-16-36-17-15-33;32-29-10-8-24(22-4-2-1-3-5-22)18-26(29)20-31(35)25-9-11-30-27(19-25)28(23-6-7-23)21-34(30)13-12-33-14-16-36-17-15-33/h1-5,8-11,19-21,23H,6-7,12-18,22,33H2;1-5,8-11,18-20,23H,6-7,12-17,21,32H2;1-5,8-11,18-19,21,23H,6-7,12-17,20,32H2
InChIKeyGVZNWVXYORZXQB-UHFFFAOYSA-N
XLogP16.65
TPSA181.47 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.90
LogP ≤ 516.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone (CID 158382751) is 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone is Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(CC1CC1)n2CCN1CCOCC1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone?
The InChIKey is GVZNWVXYORZXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O2.2C31H33N3O2/c33-30-10-8-25(24-4-2-1-3-5-24)19-27(30)22-32(36)26-9-11-31-28(20-26)21-29(18-23-6-7-23)35(31)13-12-34-14-16-37-17-15-34;32-28-10-8-24(22-4-2-1-3-5-22)18-26(28)21-31(35)25-9-11-29-27(19-25)20-30(23-6-7-23)34(29)13-12-33-14-16-36-17-15-33;32-29-10-8-24(22-4-2-1-3-5-22)18-26(29)20-31(35)25-9-11-30-27(19-25)28(23-6-7-23)21-34(30)13-12-33-14-16-36-17-15-33/h1-5,8-11,19-21,23H,6-7,12-18,22,33H2;1-5,8-11,18-20,23H,6-7,12-17,21,32H2;1-5,8-11,18-19,21,23H,6-7,12-17,20,32H2.
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone?
2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone has a molecular weight of 1452.90 g/mol, XLogP of 16.65, 25 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylphenyl)-1-[2-(cyclopropylmethyl)-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone is sourced from PubChem (CID 158382751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).