[4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide

C58H83ClF3IN8O8 — CID 160539834

About [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide

[4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide (PubChem CID 160539834) has the molecular formula C58H83ClF3IN8O8 and a molecular weight of 1239.70 g/mol. Its IUPAC name is [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide.

Molecular Properties

• Compound Name: [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide
• PubChem CID: 160539834
• Molecular Formula: C58H83ClF3IN8O8
• Molecular Weight: 1239.70 g/mol
• Exact Mass: 1238.50
• IUPAC Name: [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide
• SMILES: CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(Cl)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.C[C@@H]1CCCN1c1cc(C(C)(C)C)c2oc(C(=O)N3CCN(C(=O)C4CC(C)(O)C4)CC3(C)C)cc2n1.FC(F)(F)[C@@H]1CCCN1.I
• InChI: InChI=1S/C29H42N4O4.C24H32ClN3O4.C5H8F3N.HI/c1-18-9-8-10-32(18)23-13-20(27(2,3)4)24-21(30-23)14-22(37-24)26(35)33-12-11-31(17-28(33,5)6)25(34)19-15-29(7,36)16-19;1-22(2,3)15-9-18(25)26-16-10-17(32-19(15)16)21(30)28-8-7-27(13-23(28,4)5)20(29)14-11-24(6,31)12-14;6-5(7,8)4-2-1-3-9-4;/h13-14,18-19,36H,8-12,15-17H2,1-7H3;9-10,14,31H,7-8,11-13H2,1-6H3;4,9H,1-3H2;1H/t18-,19?,29?;;4-;/m1.0./s1
• InChIKey: HUMDGILTVWXPSB-OVRMUPTRSA-N
• XLogP: 10.26
• TPSA: 189.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.70
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide?

The IUPAC name of [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide (CID 160539834) is [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide.

What is the SMILES notation for [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide?

The canonical SMILES for [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide is CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(Cl)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.C[C@@H]1CCCN1c1cc(C(C)(C)C)c2oc(C(=O)N3CCN(C(=O)C4CC(C)(O)C4)CC3(C)C)cc2n1.FC(F)(F)[C@@H]1CCCN1.I.

What is the InChIKey of [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide?

The InChIKey is HUMDGILTVWXPSB-OVRMUPTRSA-N. The full InChI is InChI=1S/C29H42N4O4.C24H32ClN3O4.C5H8F3N.HI/c1-18-9-8-10-32(18)23-13-20(27(2,3)4)24-21(30-23)14-22(37-24)26(35)33-12-11-31(17-28(33,5)6)25(34)19-15-29(7,36)16-19;1-22(2,3)15-9-18(25)26-16-10-17(32-19(15)16)21(30)28-8-7-27(13-23(28,4)5)20(29)14-11-24(6,31)12-14;6-5(7,8)4-2-1-3-9-4;/h13-14,18-19,36H,8-12,15-17H2,1-7H3;9-10,14,31H,7-8,11-13H2,1-6H3;4,9H,1-3H2;1H/t18-,19?,29?;;4-;/m1.0./s1.

What are the key properties of [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide?

[4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide has a molecular weight of 1239.70 g/mol, XLogP of 10.26, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-methylpyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;(2S)-2-(trifluoromethyl)pyrrolidine;hydroiodide is sourced from PubChem (CID 160539834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).