N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide

C84H90N11O6S+ — CID 126569197

IUPACN-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.Nc1ccc(-c2ccccc2)cc1[N+]1(CCN2CCOCC2)C(=O)Cc2ccccc21.Nc1ccc(-c2cccs2)cc1NC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C30H32N4O2.C28H30N4O2S.C26H28N3O2/c31-27-9-8-23(21-4-2-1-3-5-21)20-28(27)32-30(35)25-18-24-10-11-34(13-12-33-14-16-36-17-15-33)29(24)26(19-25)22-6-7-22;29-24-6-5-20(26-2-1-15-35-26)18-25(24)30-28(33)22-16-21-7-8-32(10-9-31-11-13-34-14-12-31)27(21)23(17-22)19-3-4-19;27-23-11-10-21(20-6-2-1-3-7-20)18-25(23)29(15-12-28-13-16-31-17-14-28)24-9-5-4-8-22(24)19-26(29)30/h1-5,8-11,18-20,22H,6-7,12-17,31H2,(H,32,35);1-2,5-8,15-19H,3-4,9-14,29H2,(H,30,33);1-11,18H,12-17,19,27H2/q;;+1
InChIKeyBGCRNEVSNWGHRS-UHFFFAOYSA-N
MW1381.78 g/mol
LogP14.76
Rot. Bonds19

About N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide

N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide (PubChem CID 126569197) has the molecular formula C84H90N11O6S+ and a molecular weight of 1381.78 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide
PubChem CID126569197
Molecular FormulaC84H90N11O6S+
Molecular Weight1381.78 g/mol
Exact Mass1380.68
IUPAC NameN-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.Nc1ccc(-c2ccccc2)cc1[N+]1(CCN2CCOCC2)C(=O)Cc2ccccc21.Nc1ccc(-c2cccs2)cc1NC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C30H32N4O2.C28H30N4O2S.C26H28N3O2/c31-27-9-8-23(21-4-2-1-3-5-21)20-28(27)32-30(35)25-18-24-10-11-34(13-12-33-14-16-36-17-15-33)29(24)26(19-25)22-6-7-22;29-24-6-5-20(26-2-1-15-35-26)18-25(24)30-28(33)22-16-21-7-8-32(10-9-31-11-13-34-14-12-31)27(21)23(17-22)19-3-4-19;27-23-11-10-21(20-6-2-1-3-7-20)18-25(23)29(15-12-28-13-16-31-17-14-28)24-9-5-4-8-22(24)19-26(29)30/h1-5,8-11,18-20,22H,6-7,12-17,31H2,(H,32,35);1-2,5-8,15-19H,3-4,9-14,29H2,(H,30,33);1-11,18H,12-17,19,27H2/q;;+1
InChIKeyBGCRNEVSNWGHRS-UHFFFAOYSA-N
XLogP14.76
TPSA200.60 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.78
LogP ≤ 514.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide (CID 126569197) is N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.Nc1ccc(-c2ccccc2)cc1[N+]1(CCN2CCOCC2)C(=O)Cc2ccccc21.Nc1ccc(-c2cccs2)cc1NC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide?
The InChIKey is BGCRNEVSNWGHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2.C28H30N4O2S.C26H28N3O2/c31-27-9-8-23(21-4-2-1-3-5-21)20-28(27)32-30(35)25-18-24-10-11-34(13-12-33-14-16-36-17-15-33)29(24)26(19-25)22-6-7-22;29-24-6-5-20(26-2-1-15-35-26)18-25(24)30-28(33)22-16-21-7-8-32(10-9-31-11-13-34-14-12-31)27(21)23(17-22)19-3-4-19;27-23-11-10-21(20-6-2-1-3-7-20)18-25(23)29(15-12-28-13-16-31-17-14-28)24-9-5-4-8-22(24)19-26(29)30/h1-5,8-11,18-20,22H,6-7,12-17,31H2,(H,32,35);1-2,5-8,15-19H,3-4,9-14,29H2,(H,30,33);1-11,18H,12-17,19,27H2/q;;+1.
What are the key properties of N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide?
N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide has a molecular weight of 1381.78 g/mol, XLogP of 14.76, 19 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide;1-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)-3H-indol-1-ium-2-one;N-(2-amino-5-thiophen-2-ylphenyl)-7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxamide is sourced from PubChem (CID 126569197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).