2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid

C97H114F3N17O16 — CID 159043714

About 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid

2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 159043714) has the molecular formula C97H114F3N17O16 and a molecular weight of 1831.08 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid
• PubChem CID: 159043714
• Molecular Formula: C97H114F3N17O16
• Molecular Weight: 1831.08 g/mol
• Exact Mass: 1829.86
• IUPAC Name: 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid
• SMILES: CC(C)(C)OC(=O)Nc1cc(F)ccc1CC(=O)c1cnc2c(ccn2CCN2CCOCC2)c1.CC(C)(C)OC(=O)Nc1cc(F)ccc1N.COC(=O)c1cnc2c(c1)C=CC2.COC(=O)c1cnc2c(ccn2CCN2CCOCC2)c1.Nc1cc(F)ccc1CC(=O)c1cnc2c(ccn2CCN2CCOCC2)c1.O=C(O)c1cnc2c(ccn2CCN2CCOCC2)c1
• InChI: InChI=1S/C26H31FN4O4.C21H23FN4O2.C15H19N3O3.C14H17N3O3.C11H15FN2O2.C10H9NO2/c1-26(2,3)35-25(33)29-22-16-21(27)5-4-18(22)15-23(32)20-14-19-6-7-31(24(19)28-17-20)9-8-30-10-12-34-13-11-30;22-18-2-1-15(19(23)13-18)12-20(27)17-11-16-3-4-26(21(16)24-14-17)6-5-25-7-9-28-10-8-25;1-20-15(19)13-10-12-2-3-18(14(12)16-11-13)5-4-17-6-8-21-9-7-17;18-14(19)12-9-11-1-2-17(13(11)15-10-12)4-3-16-5-7-20-8-6-16;1-11(2,3)16-10(15)14-9-6-7(12)4-5-8(9)13;1-13-10(12)8-5-7-3-2-4-9(7)11-6-8/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,29,33);1-4,11,13-14H,5-10,12,23H2;2-3,10-11H,4-9H2,1H3;1-2,9-10H,3-8H2,(H,18,19);4-6H,13H2,1-3H3,(H,14,15);2-3,5-6H,4H2,1H3
• InChIKey: JWJWJGLFNJKOLR-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 386.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.08
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The IUPAC name of 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 159043714) is 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The canonical SMILES for 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid is CC(C)(C)OC(=O)Nc1cc(F)ccc1CC(=O)c1cnc2c(ccn2CCN2CCOCC2)c1.CC(C)(C)OC(=O)Nc1cc(F)ccc1N.COC(=O)c1cnc2c(c1)C=CC2.COC(=O)c1cnc2c(ccn2CCN2CCOCC2)c1.Nc1cc(F)ccc1CC(=O)c1cnc2c(ccn2CCN2CCOCC2)c1.O=C(O)c1cnc2c(ccn2CCN2CCOCC2)c1.

What is the InChIKey of 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The InChIKey is JWJWJGLFNJKOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O4.C21H23FN4O2.C15H19N3O3.C14H17N3O3.C11H15FN2O2.C10H9NO2/c1-26(2,3)35-25(33)29-22-16-21(27)5-4-18(22)15-23(32)20-14-19-6-7-31(24(19)28-17-20)9-8-30-10-12-34-13-11-30;22-18-2-1-15(19(23)13-18)12-20(27)17-11-16-3-4-26(21(16)24-14-17)6-5-25-7-9-28-10-8-25;1-20-15(19)13-10-12-2-3-18(14(12)16-11-13)5-4-17-6-8-21-9-7-17;18-14(19)12-9-11-1-2-17(13(11)15-10-12)4-3-16-5-7-20-8-6-16;1-11(2,3)16-10(15)14-9-6-7(12)4-5-8(9)13;1-13-10(12)8-5-7-3-2-4-9(7)11-6-8/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,29,33);1-4,11,13-14H,5-10,12,23H2;2-3,10-11H,4-9H2,1H3;1-2,9-10H,3-8H2,(H,18,19);4-6H,13H2,1-3H3,(H,14,15);2-3,5-6H,4H2,1H3.

What are the key properties of 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid?

2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 1831.08 g/mol, XLogP of 13.21, 23 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-4-fluorophenyl)-1-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone;tert-butyl N-(2-amino-5-fluorophenyl)carbamate;tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]-2-oxoethyl]phenyl]carbamate;methyl 7H-cyclopenta[b]pyridine-3-carboxylate;methyl 1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 159043714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).