1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide

C124H135F13N20O25S5 — CID 163870462

About 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide

1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 163870462) has the molecular formula C124H135F13N20O25S5 and a molecular weight of 2712.87 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide
• PubChem CID: 163870462
• Molecular Formula: C124H135F13N20O25S5
• Molecular Weight: 2712.87 g/mol
• Exact Mass: 2710.83
• IUPAC Name: 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide
• SMILES: CC(F)Oc1cccc(-c2nn(C3CCOC(C)(C)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCOC[C@@H]3F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCOC[C@H]3F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCO[C@@H](C(F)(F)F)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCO[C@H](C(F)(F)F)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1
• InChI: InChI=1S/C26H31FN4O5S.2C25H26F4N4O5S.2C24H26F2N4O5S/c1-16(27)36-20-7-5-6-17(10-20)22-23-21(31(30-22)19-8-9-35-25(2,3)12-19)11-18(13-28-23)24(32)29-26(4)14-37(33,34)15-26;2*1-14(26)38-18-5-3-4-15(8-18)21-22-19(33(32-21)17-6-7-37-20(10-17)25(27,28)29)9-16(11-30-22)23(34)31-24(2)12-39(35,36)13-24;2*1-14(25)35-17-5-3-4-15(8-17)21-22-20(30(29-21)19-6-7-34-11-18(19)26)9-16(10-27-22)23(31)28-24(2)12-36(32,33)13-24/h5-7,10-11,13,16,19H,8-9,12,14-15H2,1-4H3,(H,29,32);2*3-5,8-9,11,14,17,20H,6-7,10,12-13H2,1-2H3,(H,31,34);2*3-5,8-10,14,18-19H,6-7,11-13H2,1-2H3,(H,28,31)/t;2*14?,17?,20-;2*14?,18-,19?/m.1010/s1
• InChIKey: PKIVCAMLFSOKHB-LNAPIHCASA-N
• XLogP: 17.84
• TPSA: 562.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2712.87
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide?

The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide (CID 163870462) is 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide.

What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide?

The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide is CC(F)Oc1cccc(-c2nn(C3CCOC(C)(C)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCOC[C@@H]3F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCOC[C@H]3F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCO[C@@H](C(F)(F)F)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCO[C@H](C(F)(F)F)C3)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.

What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide?

The InChIKey is PKIVCAMLFSOKHB-LNAPIHCASA-N. The full InChI is InChI=1S/C26H31FN4O5S.2C25H26F4N4O5S.2C24H26F2N4O5S/c1-16(27)36-20-7-5-6-17(10-20)22-23-21(31(30-22)19-8-9-35-25(2,3)12-19)11-18(13-28-23)24(32)29-26(4)14-37(33,34)15-26;2*1-14(26)38-18-5-3-4-15(8-18)21-22-19(33(32-21)17-6-7-37-20(10-17)25(27,28)29)9-16(11-30-22)23(34)31-24(2)12-39(35,36)13-24;2*1-14(25)35-17-5-3-4-15(8-17)21-22-20(30(29-21)19-6-7-34-11-18(19)26)9-16(10-27-22)23(31)28-24(2)12-36(32,33)13-24/h5-7,10-11,13,16,19H,8-9,12,14-15H2,1-4H3,(H,29,32);2*3-5,8-9,11,14,17,20H,6-7,10,12-13H2,1-2H3,(H,31,34);2*3-5,8-10,14,18-19H,6-7,11-13H2,1-2H3,(H,28,31)/t;2*14?,17?,20-;2*14?,18-,19?/m.1010/s1.

What are the key properties of 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide?

1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 2712.87 g/mol, XLogP of 17.84, 30 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-dimethyloxan-4-yl)-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-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-2-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 163870462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).