dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate

C39H45Cl3F2K2N6O9 — CID 157154218

About dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate

dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate (PubChem CID 157154218) has the molecular formula C39H45Cl3F2K2N6O9 and a molecular weight of 964.37 g/mol. Its IUPAC name is dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate
• PubChem CID: 157154218
• Molecular Formula: C39H45Cl3F2K2N6O9
• Molecular Weight: 964.37 g/mol
• Exact Mass: 962.16
• IUPAC Name: dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate
• SMILES: CC(C)(C)OC(=O)c1ccc(-n2ccc(OCC34CC(F)(C3)C4)n2)nc1Cl.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.FC12CC(COc3ccn[nH]3)(C1)C2.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C19H21ClFN3O3.C10H11Cl2NO2.C9H11FN2O.CH2O3.2K.H/c1-17(2,3)27-16(25)12-4-5-13(22-15(12)20)24-7-6-14(23-24)26-11-18-8-19(21,9-18)10-18;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;10-9-3-8(4-9,5-9)6-13-7-1-2-11-12-7;2-1-4-3;;;/h4-7H,8-11H2,1-3H3;4-5H,1-3H3;1-2H,3-6H2,(H,11,12);1,3H;;;/q;;;;2*+1;-1/p-1
• InChIKey: FRVLJXYWDUAYPB-UHFFFAOYSA-M
• XLogP: 1.73
• TPSA: 192.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	964.37
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate?

The IUPAC name of dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate (CID 157154218) is dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate.

What is the SMILES notation for dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate?

The canonical SMILES for dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate is CC(C)(C)OC(=O)c1ccc(-n2ccc(OCC34CC(F)(C3)C4)n2)nc1Cl.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.FC12CC(COc3ccn[nH]3)(C1)C2.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate?

The InChIKey is FRVLJXYWDUAYPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21ClFN3O3.C10H11Cl2NO2.C9H11FN2O.CH2O3.2K.H/c1-17(2,3)27-16(25)12-4-5-13(22-15(12)20)24-7-6-14(23-24)26-11-18-8-19(21,9-18)10-18;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;10-9-3-8(4-9,5-9)6-13-7-1-2-11-12-7;2-1-4-3;;;/h4-7H,8-11H2,1-3H3;4-5H,1-3H3;1-2H,3-6H2,(H,11,12);1,3H;;;/q;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate?

dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate has a molecular weight of 964.37 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate is sourced from PubChem (CID 157154218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).