2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid

C99H113N13O11 — CID 161001820

About 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid

2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 161001820) has the molecular formula C99H113N13O11 and a molecular weight of 1661.07 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid
• PubChem CID: 161001820
• Molecular Formula: C99H113N13O11
• Molecular Weight: 1661.07 g/mol
• Exact Mass: 1659.87
• IUPAC Name: 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1N.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1.O=C(O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1
• InChI: InChI=1S/C35H40N4O4.C30H32N4O2.C17H21N3O3.C17H20N2O2/c1-35(2,3)43-34(41)37-30-12-11-26(24-7-5-4-6-8-24)19-27(30)22-32(40)29-20-28-21-31(25-9-10-25)39(33(28)36-23-29)14-13-38-15-17-42-18-16-38;31-27-9-8-23(21-4-2-1-3-5-21)16-24(27)19-29(35)26-17-25-18-28(22-6-7-22)34(30(25)32-20-26)11-10-33-12-14-36-15-13-33;21-17(22)14-9-13-10-15(12-1-2-12)20(16(13)18-11-14)4-3-19-5-7-23-8-6-19;1-17(2,3)21-16(20)19-15-10-9-13(11-14(15)18)12-7-5-4-6-8-12/h4-8,11-12,19-21,23,25H,9-10,13-18,22H2,1-3H3,(H,37,41);1-5,8-9,16-18,20,22H,6-7,10-15,19,31H2;9-12H,1-8H2,(H,21,22);4-11H,18H2,1-3H3,(H,19,20)
• InChIKey: TVZFCADRNBBBPX-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 291.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1661.07
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 161001820) is 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1N.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1.O=C(O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1.

What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The InChIKey is TVZFCADRNBBBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O4.C30H32N4O2.C17H21N3O3.C17H20N2O2/c1-35(2,3)43-34(41)37-30-12-11-26(24-7-5-4-6-8-24)19-27(30)22-32(40)29-20-28-21-31(25-9-10-25)39(33(28)36-23-29)14-13-38-15-17-42-18-16-38;31-27-9-8-23(21-4-2-1-3-5-21)16-24(27)19-29(35)26-17-25-18-28(22-6-7-22)34(30(25)32-20-26)11-10-33-12-14-36-15-13-33;21-17(22)14-9-13-10-15(12-1-2-12)20(16(13)18-11-14)4-3-19-5-7-23-8-6-19;1-17(2,3)21-16(20)19-15-10-9-13(11-14(15)18)12-7-5-4-6-8-12/h4-8,11-12,19-21,23,25H,9-10,13-18,22H2,1-3H3,(H,37,41);1-5,8-9,16-18,20,22H,6-7,10-15,19,31H2;9-12H,1-8H2,(H,21,22);4-11H,18H2,1-3H3,(H,19,20).

What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid?

2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 1661.07 g/mol, XLogP of 17.83, 24 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 161001820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).