bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide

C121H129F7N22O21S5 — CID 163757285

About bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide

bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 163757285) has the molecular formula C121H129F7N22O21S5 and a molecular weight of 2520.82 g/mol. Its IUPAC name is bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
• PubChem CID: 163757285
• Molecular Formula: C121H129F7N22O21S5
• Molecular Weight: 2520.82 g/mol
• Exact Mass: 2518.82
• IUPAC Name: bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
• SMILES: CC(F)Oc1cccc(-c2nn(C3CC(C)(C#N)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CC(C)(C#N)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CC(C)(C)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CC(F)(F)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CC(O)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1
• InChI: InChI=1S/2C25H26FN5O4S.C25H29FN4O4S.C23H23F3N4O4S.C23H25FN4O5S/c2*1-15(26)35-19-6-4-5-16(7-19)21-22-20(31(30-21)18-9-24(2,10-18)12-27)8-17(11-28-22)23(32)29-25(3)13-36(33,34)14-25;1-15(26)34-19-7-5-6-16(8-19)21-22-20(30(29-21)18-10-24(2,3)11-18)9-17(12-27-22)23(31)28-25(4)13-35(32,33)14-25;1-13(24)34-17-5-3-4-14(6-17)19-20-18(30(29-19)16-8-23(25,26)9-16)7-15(10-27-20)21(31)28-22(2)11-35(32,33)12-22;1-13(24)33-18-5-3-4-14(6-18)20-21-19(28(27-20)16-8-17(29)9-16)7-15(10-25-21)22(30)26-23(2)11-34(31,32)12-23/h2*4-8,11,15,18H,9-10,13-14H2,1-3H3,(H,29,32);5-9,12,15,18H,10-11,13-14H2,1-4H3,(H,28,31);3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,28,31);3-7,10,13,16-17,29H,8-9,11-12H2,1-2H3,(H,26,30)
• InChIKey: LVEBXEHFXDEIGG-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 583.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2520.82
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?

The IUPAC name of bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide (CID 163757285) is bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide.

What is the SMILES notation for bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?

The canonical SMILES for bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide is CC(F)Oc1cccc(-c2nn(C3CC(C)(C#N)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CC(C)(C#N)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CC(C)(C)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CC(F)(F)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CC(O)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.

What is the InChIKey of bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?

The InChIKey is LVEBXEHFXDEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26FN5O4S.C25H29FN4O4S.C23H23F3N4O4S.C23H25FN4O5S/c2*1-15(26)35-19-6-4-5-16(7-19)21-22-20(31(30-21)18-9-24(2,10-18)12-27)8-17(11-28-22)23(32)29-25(3)13-36(33,34)14-25;1-15(26)34-19-7-5-6-16(8-19)21-22-20(30(29-21)18-10-24(2,3)11-18)9-17(12-27-22)23(31)28-25(4)13-35(32,33)14-25;1-13(24)34-17-5-3-4-14(6-17)19-20-18(30(29-19)16-8-23(25,26)9-16)7-15(10-27-20)21(31)28-22(2)11-35(32,33)12-22;1-13(24)33-18-5-3-4-14(6-18)20-21-19(28(27-20)16-8-17(29)9-16)7-15(10-25-21)22(30)26-23(2)11-34(31,32)12-23/h2*4-8,11,15,18H,9-10,13-14H2,1-3H3,(H,29,32);5-9,12,15,18H,10-11,13-14H2,1-4H3,(H,28,31);3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,28,31);3-7,10,13,16-17,29H,8-9,11-12H2,1-2H3,(H,26,30).

What are the key properties of bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?

bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 2520.82 g/mol, XLogP of 17.30, 30 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(3-cyano-3-methylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide);1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;1-(3,3-dimethylcyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 163757285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).