[1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate

C66H72Cl6N16O10P2 — CID 158119615

About [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate

[1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate (PubChem CID 158119615) has the molecular formula C66H72Cl6N16O10P2 and a molecular weight of 1524.07 g/mol. Its IUPAC name is [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate.

Molecular Properties

• Compound Name: [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate
• PubChem CID: 158119615
• Molecular Formula: C66H72Cl6N16O10P2
• Molecular Weight: 1524.07 g/mol
• Exact Mass: 1520.32
• IUPAC Name: [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate
• SMILES: CC(=O)OC(N)Cc1cn(P)c2nccc(Cl)c12.CC(=O)OC1Cc2c(n(P)c3nccc(Cl)c23)CN1.CCOC(=O)C(C)(Cc1c[nH]c2nccc(Cl)c12)OC(=O)CC.CN(C)Cc1c[nH]c2nccc(Cl)c12.Clc1ccnc2[nH]ccc12.NC(Cc1c[nH]c2nccc(Cl)c12)OC=O
• InChI: InChI=1S/C16H19ClN2O4.C12H13ClN3O2P.C11H13ClN3O2P.C10H10ClN3O2.C10H12ClN3.C7H5ClN2/c1-4-12(20)23-16(3,15(21)22-5-2)8-10-9-19-14-13(10)11(17)6-7-18-14;1-6(17)18-10-4-7-9(5-15-10)16(19)12-11(7)8(13)2-3-14-12;1-6(16)17-9(13)4-7-5-15(18)11-10(7)8(12)2-3-14-11;11-7-1-2-13-10-9(7)6(4-14-10)3-8(12)16-5-15;1-14(2)6-7-5-13-10-9(7)8(11)3-4-12-10;8-6-2-4-10-7-5(6)1-3-9-7/h6-7,9H,4-5,8H2,1-3H3,(H,18,19);2-3,10,15H,4-5,19H2,1H3;2-3,5,9H,4,13,18H2,1H3;1-2,4-5,8H,3,12H2,(H,13,14);3-5H,6H2,1-2H3,(H,12,13);1-4H,(H,9,10)
• InChIKey: FRLFGQLQJXBWTR-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 349.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1524.07
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate?

The IUPAC name of [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate (CID 158119615) is [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate.

What is the SMILES notation for [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate?

The canonical SMILES for [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate is CC(=O)OC(N)Cc1cn(P)c2nccc(Cl)c12.CC(=O)OC1Cc2c(n(P)c3nccc(Cl)c23)CN1.CCOC(=O)C(C)(Cc1c[nH]c2nccc(Cl)c12)OC(=O)CC.CN(C)Cc1c[nH]c2nccc(Cl)c12.Clc1ccnc2[nH]ccc12.NC(Cc1c[nH]c2nccc(Cl)c12)OC=O.

What is the InChIKey of [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate?

The InChIKey is FRLFGQLQJXBWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4.C12H13ClN3O2P.C11H13ClN3O2P.C10H10ClN3O2.C10H12ClN3.C7H5ClN2/c1-4-12(20)23-16(3,15(21)22-5-2)8-10-9-19-14-13(10)11(17)6-7-18-14;1-6(17)18-10-4-7-9(5-15-10)16(19)12-11(7)8(13)2-3-14-12;1-6(16)17-9(13)4-7-5-15(18)11-10(7)8(12)2-3-14-11;11-7-1-2-13-10-9(7)6(4-14-10)3-8(12)16-5-15;1-14(2)6-7-5-13-10-9(7)8(11)3-4-12-10;8-6-2-4-10-7-5(6)1-3-9-7/h6-7,9H,4-5,8H2,1-3H3,(H,18,19);2-3,10,15H,4-5,19H2,1H3;2-3,5,9H,4,13,18H2,1H3;1-2,4-5,8H,3,12H2,(H,13,14);3-5H,6H2,1-2H3,(H,12,13);1-4H,(H,9,10).

What are the key properties of [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate?

[1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate has a molecular weight of 1524.07 g/mol, XLogP of 12.33, 16 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [1-amino-2-(4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)ethyl] acetate;[1-amino-2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl] formate;(13-chloro-8-phosphanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl) acetate;4-chloro-1H-pyrrolo[2,3-b]pyridine;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;ethyl 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-2-propanoyloxypropanoate is sourced from PubChem (CID 158119615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).