tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid

C58H58F3N19O7 — CID 172947519

About tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid

tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 172947519) has the molecular formula C58H58F3N19O7 and a molecular weight of 1190.22 g/mol. Its IUPAC name is tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid
• PubChem CID: 172947519
• Molecular Formula: C58H58F3N19O7
• Molecular Weight: 1190.22 g/mol
• Exact Mass: 1189.47
• IUPAC Name: tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)N1CCC(c2nc(-n3ccc4cccnc43)no2)CC1.N#Cn1ccc2cccnc21.N/C(=N\O)n1ccc2cccnc21.O=C(O)C(F)(F)F.c1cnc2[nH]ccc2c1.c1cnc2c(c1)ccn2-c1noc(C2CCNCC2)n1
• InChI: InChI=1S/C19H23N5O3.C14H15N5O.C8H8N4O.C8H5N3.C7H6N2.C2HF3O2/c1-19(2,3)26-18(25)23-10-6-14(7-11-23)16-21-17(22-27-16)24-12-8-13-5-4-9-20-15(13)24;1-2-10-5-9-19(12(10)16-6-1)14-17-13(20-18-14)11-3-7-15-8-4-11;9-8(11-13)12-5-3-6-2-1-4-10-7(6)12;9-6-11-5-3-7-2-1-4-10-8(7)11;1-2-6-3-5-9-7(6)8-4-1;3-2(4,5)1(6)7/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3;1-2,5-6,9,11,15H,3-4,7-8H2;1-5,13H,(H2,9,11);1-5H;1-5H,(H,8,9);(H,6,7)
• InChIKey: XRVWBYAKHLWBDL-UHFFFAOYSA-N
• XLogP: 9.55
• TPSA: 339.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 4
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1190.22
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid (CID 172947519) is tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)N1CCC(c2nc(-n3ccc4cccnc43)no2)CC1.N#Cn1ccc2cccnc21.N/C(=N\O)n1ccc2cccnc21.O=C(O)C(F)(F)F.c1cnc2[nH]ccc2c1.c1cnc2c(c1)ccn2-c1noc(C2CCNCC2)n1.

What is the InChIKey of tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid?

The InChIKey is XRVWBYAKHLWBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.C14H15N5O.C8H8N4O.C8H5N3.C7H6N2.C2HF3O2/c1-19(2,3)26-18(25)23-10-6-14(7-11-23)16-21-17(22-27-16)24-12-8-13-5-4-9-20-15(13)24;1-2-10-5-9-19(12(10)16-6-1)14-17-13(20-18-14)11-3-7-15-8-4-11;9-8(11-13)12-5-3-6-2-1-4-10-7(6)12;9-6-11-5-3-7-2-1-4-10-8(7)11;1-2-6-3-5-9-7(6)8-4-1;3-2(4,5)1(6)7/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3;1-2,5-6,9,11,15H,3-4,7-8H2;1-5,13H,(H2,9,11);1-5H;1-5H,(H,8,9);(H,6,7).

What are the key properties of tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid?

tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 1190.22 g/mol, XLogP of 9.55, 4 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;N'-hydroxypyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridine-1-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172947519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).