tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine

C153H137ClFN29O9S3 — CID 158930208

About tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine

tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158930208) has the molecular formula C153H137ClFN29O9S3 and a molecular weight of 2676.62 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158930208
• Molecular Formula: C153H137ClFN29O9S3
• Molecular Weight: 2676.62 g/mol
• Exact Mass: 2674.00
• IUPAC Name: tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1.CC(=O)c1cccc(-c2ccnc3[nH]ccc23)c1.CC(C)(C)OC(=O)NCCC(=O)NCc1cccc(-c2ccnc3[nH]ccc23)c1.COc1ccc(-c2ccnc3[nH]ccc23)cn1.Clc1ccc(-c2ccnc3[nH]ccc23)s1.Fc1ccccc1-c1ccnc2[nH]ccc12.O=C(NCCCN1CCCC1=O)c1cccc(-c2ccnc3[nH]ccc23)c1.OCc1cccc(-c2ccnc3[nH]ccc23)c1.c1cc(-c2ccnc3[nH]ccc23)ccn1.c1csc(-c2cc(C3CCN(c4ccnc5[nH]ccc45)CC3)[nH]n2)c1
• InChI: InChI=1S/C22H26N4O3.C21H22N4O2.C19H19N5S.C15H12N2O.C14H12N2O.C13H9FN2.C13H11N3O.C13H10N2OS.C12H9N3.C11H7ClN2S/c1-22(2,3)29-21(28)25-12-9-19(27)26-14-15-5-4-6-16(13-15)17-7-10-23-20-18(17)8-11-24-20;26-19-6-2-12-25(19)13-3-9-24-21(27)16-5-1-4-15(14-16)17-7-10-22-20-18(17)8-11-23-20;1-2-18(25-11-1)16-12-15(22-23-16)13-5-9-24(10-6-13)17-4-8-21-19-14(17)3-7-20-19;1-10(18)11-3-2-4-12(9-11)13-5-7-16-15-14(13)6-8-17-15;17-9-10-2-1-3-11(8-10)12-4-6-15-14-13(12)5-7-16-14;14-12-4-2-1-3-10(12)9-5-7-15-13-11(9)6-8-16-13;1-17-12-3-2-9(8-16-12)10-4-6-14-13-11(10)5-7-15-13;1-8(16)11-2-3-12(17-11)9-4-6-14-13-10(9)5-7-15-13;1-5-13-6-2-9(1)10-3-7-14-12-11(10)4-8-15-12;12-10-2-1-9(15-10)7-3-5-13-11-8(7)4-6-14-11/h4-8,10-11,13H,9,12,14H2,1-3H3,(H,23,24)(H,25,28)(H,26,27);1,4-5,7-8,10-11,14H,2-3,6,9,12-13H2,(H,22,23)(H,24,27);1-4,7-8,11-13H,5-6,9-10H2,(H,20,21)(H,22,23);2-9H,1H3,(H,16,17);1-8,17H,9H2,(H,15,16);1-8H,(H,15,16);2-8H,1H3,(H,14,15);2-7H,1H3,(H,14,15);1-8H,(H,14,15);1-6H,(H,13,14)
• InChIKey: JIYMZPBDFUMUCH-UHFFFAOYSA-N
• XLogP: 33.35
• TPSA: 524.94 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2676.62
LogP ≤ 5	33.35
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine (CID 158930208) is tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine is CC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1.CC(=O)c1cccc(-c2ccnc3[nH]ccc23)c1.CC(C)(C)OC(=O)NCCC(=O)NCc1cccc(-c2ccnc3[nH]ccc23)c1.COc1ccc(-c2ccnc3[nH]ccc23)cn1.Clc1ccc(-c2ccnc3[nH]ccc23)s1.Fc1ccccc1-c1ccnc2[nH]ccc12.O=C(NCCCN1CCCC1=O)c1cccc(-c2ccnc3[nH]ccc23)c1.OCc1cccc(-c2ccnc3[nH]ccc23)c1.c1cc(-c2ccnc3[nH]ccc23)ccn1.c1csc(-c2cc(C3CCN(c4ccnc5[nH]ccc45)CC3)[nH]n2)c1.

What is the InChIKey of tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is JIYMZPBDFUMUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.C21H22N4O2.C19H19N5S.C15H12N2O.C14H12N2O.C13H9FN2.C13H11N3O.C13H10N2OS.C12H9N3.C11H7ClN2S/c1-22(2,3)29-21(28)25-12-9-19(27)26-14-15-5-4-6-16(13-15)17-7-10-23-20-18(17)8-11-24-20;26-19-6-2-12-25(19)13-3-9-24-21(27)16-5-1-4-15(14-16)17-7-10-22-20-18(17)8-11-23-20;1-2-18(25-11-1)16-12-15(22-23-16)13-5-9-24(10-6-13)17-4-8-21-19-14(17)3-7-20-19;1-10(18)11-3-2-4-12(9-11)13-5-7-16-15-14(13)6-8-17-15;17-9-10-2-1-3-11(8-10)12-4-6-15-14-13(12)5-7-16-14;14-12-4-2-1-3-10(12)9-5-7-15-13-11(9)6-8-16-13;1-17-12-3-2-9(8-16-12)10-4-6-14-13-11(10)5-7-15-13;1-8(16)11-2-3-12(17-11)9-4-6-14-13-10(9)5-7-15-13;1-5-13-6-2-9(1)10-3-7-14-12-11(10)4-8-15-12;12-10-2-1-9(15-10)7-3-5-13-11-8(7)4-6-14-11/h4-8,10-11,13H,9,12,14H2,1-3H3,(H,23,24)(H,25,28)(H,26,27);1,4-5,7-8,10-11,14H,2-3,6,9,12-13H2,(H,22,23)(H,24,27);1-4,7-8,11-13H,5-6,9-10H2,(H,20,21)(H,22,23);2-9H,1H3,(H,16,17);1-8,17H,9H2,(H,15,16);1-8H,(H,15,16);2-8H,1H3,(H,14,15);2-7H,1H3,(H,14,15);1-8H,(H,14,15);1-6H,(H,13,14).

What are the key properties of tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?

tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2676.62 g/mol, XLogP of 33.35, 26 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158930208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).