tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride

C71H88ClN19O5 — CID 172947228

About tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride

tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride (PubChem CID 172947228) has the molecular formula C71H88ClN19O5 and a molecular weight of 1323.07 g/mol. Its IUPAC name is tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride
• PubChem CID: 172947228
• Molecular Formula: C71H88ClN19O5
• Molecular Weight: 1323.07 g/mol
• Exact Mass: 1321.69
• IUPAC Name: tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride
• SMILES: CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2ccn(-c3noc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)c2n1.CC(C)c1ccc2ccn(-c3noc(C4CCNCC4)n3)c2n1.CC(C)c1ccc2ccn(/C(N)=N/O)c2n1.CC(C)c1ccc2ccn(C#N)c2n1.Cl
• InChI: InChI=1S/C22H29N5O3.C17H21N5O.C11H14N4O.C11H11N3.C10H12N2.ClH/c1-14(2)17-7-6-15-10-13-27(18(15)23-17)20-24-19(30-25-20)16-8-11-26(12-9-16)21(28)29-22(3,4)5;1-11(2)14-4-3-12-7-10-22(15(12)19-14)17-20-16(23-21-17)13-5-8-18-9-6-13;1-7(2)9-4-3-8-5-6-15(10(8)13-9)11(12)14-16;1-8(2)10-4-3-9-5-6-14(7-12)11(9)13-10;1-7(2)9-4-3-8-5-6-11-10(8)12-9;/h6-7,10,13-14,16H,8-9,11-12H2,1-5H3;3-4,7,10-11,13,18H,5-6,8-9H2,1-2H3;3-7,16H,1-2H3,(H2,12,14);3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);1H
• InChIKey: ZHPKMEUNPYGKIP-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 301.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.07
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride?

The IUPAC name of tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride (CID 172947228) is tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride.

What is the SMILES notation for tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride?

The canonical SMILES for tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride is CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2ccn(-c3noc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)c2n1.CC(C)c1ccc2ccn(-c3noc(C4CCNCC4)n3)c2n1.CC(C)c1ccc2ccn(/C(N)=N/O)c2n1.CC(C)c1ccc2ccn(C#N)c2n1.Cl.

What is the InChIKey of tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride?

The InChIKey is ZHPKMEUNPYGKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3.C17H21N5O.C11H14N4O.C11H11N3.C10H12N2.ClH/c1-14(2)17-7-6-15-10-13-27(18(15)23-17)20-24-19(30-25-20)16-8-11-26(12-9-16)21(28)29-22(3,4)5;1-11(2)14-4-3-12-7-10-22(15(12)19-14)17-20-16(23-21-17)13-5-8-18-9-6-13;1-7(2)9-4-3-8-5-6-15(10(8)13-9)11(12)14-16;1-8(2)10-4-3-9-5-6-14(7-12)11(9)13-10;1-7(2)9-4-3-8-5-6-11-10(8)12-9;/h6-7,10,13-14,16H,8-9,11-12H2,1-5H3;3-4,7,10-11,13,18H,5-6,8-9H2,1-2H3;3-7,16H,1-2H3,(H2,12,14);3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);1H.

What are the key properties of tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride?

tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride has a molecular weight of 1323.07 g/mol, XLogP of 14.95, 9 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;N'-hydroxy-6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carboximidamide;5-piperidin-4-yl-3-(6-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-1,2,4-oxadiazole;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylpyrrolo[2,3-b]pyridine-1-carbonitrile;hydrochloride is sourced from PubChem (CID 172947228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).