2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate

C65H72N8O6 — CID 157482481

About 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate

2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate (PubChem CID 157482481) has the molecular formula C65H72N8O6 and a molecular weight of 1061.34 g/mol. Its IUPAC name is 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate.

Molecular Properties

• Compound Name: 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate
• PubChem CID: 157482481
• Molecular Formula: C65H72N8O6
• Molecular Weight: 1061.34 g/mol
• Exact Mass: 1060.56
• IUPAC Name: 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1
• InChI: InChI=1S/C35H40N4O4.C30H32N4O2/c1-35(2,3)43-34(41)37-30-8-6-26(24-10-12-36-13-11-24)20-28(30)23-33(40)27-7-9-31-29(21-27)22-32(25-4-5-25)39(31)15-14-38-16-18-42-19-17-38;31-27-5-3-23(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/h6-13,20-22,25H,4-5,14-19,23H2,1-3H3,(H,37,41);3-10,17-19,22H,1-2,11-16,20,31H2
• InChIKey: BWHXCISSRVGIEG-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 159.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.34
LogP ≤ 5	11.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate?

The IUPAC name of 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate (CID 157482481) is 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate.

What is the SMILES notation for 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate?

The canonical SMILES for 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.

What is the InChIKey of 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate?

The InChIKey is BWHXCISSRVGIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O4.C30H32N4O2/c1-35(2,3)43-34(41)37-30-8-6-26(24-10-12-36-13-11-24)20-28(30)23-33(40)27-7-9-31-29(21-27)22-32(25-4-5-25)39(31)15-14-38-16-18-42-19-17-38;31-27-5-3-23(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/h6-13,20-22,25H,4-5,14-19,23H2,1-3H3,(H,37,41);3-10,17-19,22H,1-2,11-16,20,31H2.

What are the key properties of 2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate?

2-(2-amino-5-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]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-pyridin-4-ylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate is sourced from PubChem (CID 157482481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).