tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine

C107H141N23O11 — CID 157442779

About tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine

tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine (PubChem CID 157442779) has the molecular formula C107H141N23O11 and a molecular weight of 1925.45 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine.

Molecular Properties

• Compound Name: tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine
• PubChem CID: 157442779
• Molecular Formula: C107H141N23O11
• Molecular Weight: 1925.45 g/mol
• Exact Mass: 1924.12
• IUPAC Name: tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine
• SMILES: C(=N/C1CC1)\c1c[nH]c2ncccc12.CC(NC1CC1)c1c[nH]c2ncccc12.CC(NC1CC1)c1cn(CCCNC(=O)CO)c2ncccc12.CC(c1c[nH]c2ncccc12)N(C(=O)OC(C)(C)C)C1CC1.CC(c1cn(CCCN)c2ncccc12)N(C(=O)OC(C)(C)C)C1CC1.CC(c1cn(CCCNC(=O)CO)c2ncccc12)N(C(=O)OC(C)(C)C)C1CC1.O=Cc1c[nH]c2ncccc12
• InChI: InChI=1S/C22H32N4O4.C20H30N4O2.C17H24N4O2.C17H23N3O2.C12H15N3.C11H11N3.C8H6N2O/c1-15(26(16-8-9-16)21(29)30-22(2,3)4)18-13-25(12-6-11-23-19(28)14-27)20-17(18)7-5-10-24-20;1-14(24(15-8-9-15)19(25)26-20(2,3)4)17-13-23(12-6-10-21)18-16(17)7-5-11-22-18;1-12(20-13-5-6-13)15-10-21(9-3-8-18-16(23)11-22)17-14(15)4-2-7-19-17;1-11(14-10-19-15-13(14)6-5-9-18-15)20(12-7-8-12)16(21)22-17(2,3)4;1-8(15-9-4-5-9)11-7-14-12-10(11)3-2-6-13-12;1-2-10-8(6-13-9-3-4-9)7-14-11(10)12-5-1;11-5-6-4-10-8-7(6)2-1-3-9-8/h5,7,10,13,15-16,27H,6,8-9,11-12,14H2,1-4H3,(H,23,28);5,7,11,13-15H,6,8-10,12,21H2,1-4H3;2,4,7,10,12-13,20,22H,3,5-6,8-9,11H2,1H3,(H,18,23);5-6,9-12H,7-8H2,1-4H3,(H,18,19);2-3,6-9,15H,4-5H2,1H3,(H,13,14);1-2,5-7,9H,3-4H2,(H,12,14);1-5H,(H,9,10)/b;;;;;13-6+
• InChIKey: BRWBWNDIYCFPKD-UKYWGWDHSA-N
• XLogP: 18.11
• TPSA: 434.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1925.45
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine?

The IUPAC name of tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine (CID 157442779) is tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine.

What is the SMILES notation for tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine?

The canonical SMILES for tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine is C(=N/C1CC1)\c1c[nH]c2ncccc12.CC(NC1CC1)c1c[nH]c2ncccc12.CC(NC1CC1)c1cn(CCCNC(=O)CO)c2ncccc12.CC(c1c[nH]c2ncccc12)N(C(=O)OC(C)(C)C)C1CC1.CC(c1cn(CCCN)c2ncccc12)N(C(=O)OC(C)(C)C)C1CC1.CC(c1cn(CCCNC(=O)CO)c2ncccc12)N(C(=O)OC(C)(C)C)C1CC1.O=Cc1c[nH]c2ncccc12.

What is the InChIKey of tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine?

The InChIKey is BRWBWNDIYCFPKD-UKYWGWDHSA-N. The full InChI is InChI=1S/C22H32N4O4.C20H30N4O2.C17H24N4O2.C17H23N3O2.C12H15N3.C11H11N3.C8H6N2O/c1-15(26(16-8-9-16)21(29)30-22(2,3)4)18-13-25(12-6-11-23-19(28)14-27)20-17(18)7-5-10-24-20;1-14(24(15-8-9-15)19(25)26-20(2,3)4)17-13-23(12-6-10-21)18-16(17)7-5-11-22-18;1-12(20-13-5-6-13)15-10-21(9-3-8-18-16(23)11-22)17-14(15)4-2-7-19-17;1-11(14-10-19-15-13(14)6-5-9-18-15)20(12-7-8-12)16(21)22-17(2,3)4;1-8(15-9-4-5-9)11-7-14-12-10(11)3-2-6-13-12;1-2-10-8(6-13-9-3-4-9)7-14-11(10)12-5-1;11-5-6-4-10-8-7(6)2-1-3-9-8/h5,7,10,13,15-16,27H,6,8-9,11-12,14H2,1-4H3,(H,23,28);5,7,11,13-15H,6,8-10,12,21H2,1-4H3;2,4,7,10,12-13,20,22H,3,5-6,8-9,11H2,1H3,(H,18,23);5-6,9-12H,7-8H2,1-4H3,(H,18,19);2-3,6-9,15H,4-5H2,1H3,(H,13,14);1-2,5-7,9H,3-4H2,(H,12,14);1-5H,(H,9,10)/b;;;;;13-6+;.

What are the key properties of tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine?

tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine has a molecular weight of 1925.45 g/mol, XLogP of 18.11, 31 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[1-(3-aminopropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[1-[1-[3-[(2-hydroxyacetyl)amino]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethyl]carbamate;tert-butyl N-cyclopropyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamate;N-[3-[3-[1-(cyclopropylamino)ethyl]pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-hydroxyacetamide;N-cyclopropyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 157442779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).