2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate

C65H72N8O6 — CID 158692094

IUPAC2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1
InChIInChI=1S/C35H40N4O4.C30H32N4O2/c1-35(2,3)43-34(41)36-30-13-11-26(24-7-5-4-6-8-24)21-28(30)23-32(40)27-12-14-31-29(22-27)33(25-9-10-25)37-39(31)16-15-38-17-19-42-20-18-38;31-27-10-8-23(21-4-2-1-3-5-21)18-25(27)20-29(35)24-9-11-28-26(19-24)30(22-6-7-22)32-34(28)13-12-33-14-16-36-17-15-33/h4-8,11-14,21-22,25H,9-10,15-20,23H2,1-3H3,(H,36,41);1-5,8-11,18-19,22H,6-7,12-17,20,31H2
InChIKeyIGMCCTFJZOGTDX-UHFFFAOYSA-N
MW1061.34 g/mol
LogP11.61
Rot. Bonds17

About 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate

2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate (PubChem CID 158692094) has the molecular formula C65H72N8O6 and a molecular weight of 1061.34 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate
PubChem CID158692094
Molecular FormulaC65H72N8O6
Molecular Weight1061.34 g/mol
Exact Mass1060.56
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1
InChIInChI=1S/C35H40N4O4.C30H32N4O2/c1-35(2,3)43-34(41)36-30-13-11-26(24-7-5-4-6-8-24)21-28(30)23-32(40)27-12-14-31-29(22-27)33(25-9-10-25)37-39(31)16-15-38-17-19-42-20-18-38;31-27-10-8-23(21-4-2-1-3-5-21)18-25(27)20-29(35)24-9-11-28-26(19-24)30(22-6-7-22)32-34(28)13-12-33-14-16-36-17-15-33/h4-8,11-14,21-22,25H,9-10,15-20,23H2,1-3H3,(H,36,41);1-5,8-11,18-19,22H,6-7,12-17,20,31H2
InChIKeyIGMCCTFJZOGTDX-UHFFFAOYSA-N
XLogP11.61
TPSA159.07 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.34
LogP ≤ 511.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate (CID 158692094) is 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate?
The InChIKey is IGMCCTFJZOGTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O4.C30H32N4O2/c1-35(2,3)43-34(41)36-30-13-11-26(24-7-5-4-6-8-24)21-28(30)23-32(40)27-12-14-31-29(22-27)33(25-9-10-25)37-39(31)16-15-38-17-19-42-20-18-38;31-27-10-8-23(21-4-2-1-3-5-21)18-25(27)20-29(35)24-9-11-28-26(19-24)30(22-6-7-22)32-34(28)13-12-33-14-16-36-17-15-33/h4-8,11-14,21-22,25H,9-10,15-20,23H2,1-3H3,(H,36,41);1-5,8-11,18-19,22H,6-7,12-17,20,31H2.
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate?
2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate has a molecular weight of 1061.34 g/mol, XLogP of 11.61, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate is sourced from PubChem (CID 158692094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).