2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone

C87H89N9O5S — CID 158522314

IUPAC2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone
SMILESCOCCn1c(C2CC2)cc2cc(C(=O)Cc3cc(-c4ccccc4)ccc3N)ccc21.Nc1ccc(-c2cccs2)cc1CC(=O)c1ccc2c(C3CC3)c(N3CCNCC3)ccc2c1.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1
InChIInChI=1S/C30H32N4O2.C29H29N3OS.C28H28N2O2/c31-27-5-3-23(21-7-9-32-10-8-21)17-25(27)20-30(35)24-4-6-28-26(18-24)19-29(22-1-2-22)34(28)12-11-33-13-15-36-16-14-33;30-25-9-6-22(28-2-1-15-34-28)17-23(25)18-27(33)21-5-8-24-20(16-21)7-10-26(29(24)19-3-4-19)32-13-11-31-12-14-32;1-32-14-13-30-26-12-10-22(16-24(26)17-27(30)20-7-8-20)28(31)18-23-15-21(9-11-25(23)29)19-5-3-2-4-6-19/h3-10,17-19,22H,1-2,11-16,20,31H2;1-2,5-10,15-17,19,31H,3-4,11-14,18,30H2;2-6,9-12,15-17,20H,7-8,13-14,18,29H2,1H3
InChIKeyHMJBONGAQIEFGM-UHFFFAOYSA-N
MW1372.79 g/mol
LogP16.62
Rot. Bonds22

About 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone

2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone (PubChem CID 158522314) has the molecular formula C87H89N9O5S and a molecular weight of 1372.79 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone
PubChem CID158522314
Molecular FormulaC87H89N9O5S
Molecular Weight1372.79 g/mol
Exact Mass1371.67
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone
SMILESCOCCn1c(C2CC2)cc2cc(C(=O)Cc3cc(-c4ccccc4)ccc3N)ccc21.Nc1ccc(-c2cccs2)cc1CC(=O)c1ccc2c(C3CC3)c(N3CCNCC3)ccc2c1.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1
InChIInChI=1S/C30H32N4O2.C29H29N3OS.C28H28N2O2/c31-27-5-3-23(21-7-9-32-10-8-21)17-25(27)20-30(35)24-4-6-28-26(18-24)19-29(22-1-2-22)34(28)12-11-33-13-15-36-16-14-33;30-25-9-6-22(28-2-1-15-34-28)17-23(25)18-27(33)21-5-8-24-20(16-21)7-10-26(29(24)19-3-4-19)32-13-11-31-12-14-32;1-32-14-13-30-26-12-10-22(16-24(26)17-27(30)20-7-8-20)28(31)18-23-15-21(9-11-25(23)29)19-5-3-2-4-6-19/h3-10,17-19,22H,1-2,11-16,20,31H2;1-2,5-10,15-17,19,31H,3-4,11-14,18,30H2;2-6,9-12,15-17,20H,7-8,13-14,18,29H2,1H3
InChIKeyHMJBONGAQIEFGM-UHFFFAOYSA-N
XLogP16.62
TPSA188.99 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.79
LogP ≤ 516.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone (CID 158522314) is 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone is COCCn1c(C2CC2)cc2cc(C(=O)Cc3cc(-c4ccccc4)ccc3N)ccc21.Nc1ccc(-c2cccs2)cc1CC(=O)c1ccc2c(C3CC3)c(N3CCNCC3)ccc2c1.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone?
The InChIKey is HMJBONGAQIEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2.C29H29N3OS.C28H28N2O2/c31-27-5-3-23(21-7-9-32-10-8-21)17-25(27)20-30(35)24-4-6-28-26(18-24)19-29(22-1-2-22)34(28)12-11-33-13-15-36-16-14-33;30-25-9-6-22(28-2-1-15-34-28)17-23(25)18-27(33)21-5-8-24-20(16-21)7-10-26(29(24)19-3-4-19)32-13-11-31-12-14-32;1-32-14-13-30-26-12-10-22(16-24(26)17-27(30)20-7-8-20)28(31)18-23-15-21(9-11-25(23)29)19-5-3-2-4-6-19/h3-10,17-19,22H,1-2,11-16,20,31H2;1-2,5-10,15-17,19,31H,3-4,11-14,18,30H2;2-6,9-12,15-17,20H,7-8,13-14,18,29H2,1H3.
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone?
2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone has a molecular weight of 1372.79 g/mol, XLogP of 16.62, 22 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-cyclopropyl-6-piperazin-1-ylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 158522314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).