tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide

C71H101N15O14 — CID 160706164

About tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide

tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide (PubChem CID 160706164) has the molecular formula C71H101N15O14 and a molecular weight of 1388.68 g/mol. Its IUPAC name is tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide
• PubChem CID: 160706164
• Molecular Formula: C71H101N15O14
• Molecular Weight: 1388.68 g/mol
• Exact Mass: 1387.77
• IUPAC Name: tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide
• SMILES: CC(c1cn(CCCNC(=O)CO)c2ncccc12)N(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC1.C[C@@H](c1cn(CCCNC(=O)CO)c2ncccc12)N(C(=O)[C@H]1CNCCO1)C1CC1.C[C@H](c1cn(CCCNC(=O)CO)c2ncccc12)N(C(=O)[C@H]1CNCCO1)C1CC1
• InChI: InChI=1S/C27H39N5O6.2C22H31N5O4/c1-18(21-15-30(12-6-11-28-23(34)17-33)24-20(21)7-5-10-29-24)32(19-8-9-19)25(35)22-16-31(13-14-37-22)26(36)38-27(2,3)4;2*1-15(27(16-5-6-16)22(30)19-12-23-9-11-31-19)18-13-26(10-3-8-24-20(29)14-28)21-17(18)4-2-7-25-21/h5,7,10,15,18-19,22,33H,6,8-9,11-14,16-17H2,1-4H3,(H,28,34);2*2,4,7,13,15-16,19,23,28H,3,5-6,8-12,14H2,1H3,(H,24,29)/t18?,22-;15-,19+;15-,19-/m101/s1
• InChIKey: RRGIHGZCWVGULI-JZCRRWBQSA-N
• XLogP: 3.37
• TPSA: 343.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1388.68
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide?

The IUPAC name of tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide (CID 160706164) is tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide.

What is the SMILES notation for tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide?

The canonical SMILES for tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide is CC(c1cn(CCCNC(=O)CO)c2ncccc12)N(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC1.C[C@@H](c1cn(CCCNC(=O)CO)c2ncccc12)N(C(=O)[C@H]1CNCCO1)C1CC1.C[C@H](c1cn(CCCNC(=O)CO)c2ncccc12)N(C(=O)[C@H]1CNCCO1)C1CC1.

What is the InChIKey of tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide?

The InChIKey is RRGIHGZCWVGULI-JZCRRWBQSA-N. The full InChI is InChI=1S/C27H39N5O6.2C22H31N5O4/c1-18(21-15-30(12-6-11-28-23(34)17-33)24-20(21)7-5-10-29-24)32(19-8-9-19)25(35)22-16-31(13-14-37-22)26(36)38-27(2,3)4;2*1-15(27(16-5-6-16)22(30)19-12-23-9-11-31-19)18-13-26(10-3-8-24-20(29)14-28)21-17(18)4-2-7-25-21/h5,7,10,15,18-19,22,33H,6,8-9,11-14,16-17H2,1-4H3,(H,28,34);2*2,4,7,13,15-16,19,23,28H,3,5-6,8-12,14H2,1H3,(H,24,29)/t18?,22-;15-,19+;15-,19-/m101/s1.

What are the key properties of tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide?

tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 1388.68 g/mol, XLogP of 3.37, 27 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-2-[cyclopropyl-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamoyl]morpholine-4-carboxylate;(2R)-N-cyclopropyl-N-[(1R)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide;(2R)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 160706164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).