1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C114H129F9N22O19S5 — CID 163672518

About 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 163672518) has the molecular formula C114H129F9N22O19S5 and a molecular weight of 2442.74 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
• PubChem CID: 163672518
• Molecular Formula: C114H129F9N22O19S5
• Molecular Weight: 2442.74 g/mol
• Exact Mass: 2440.83
• IUPAC Name: 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
• SMILES: CC(C)n1nc(-c2cc(C3CC3)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.CC(C)n1nc(-c2cc(OC(C)(F)F)ccc2F)c2ncc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc21.CC(C)n1nc(-c2cncc(OC(C)(F)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.CCOc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC[C@H](C)n1nc(-c2cc(OC(C)F)ncc2F)c2ncc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc21
• InChI: InChI=1S/C24H27F3N4O4S.C24H29F2N5O4S.C23H25FN4O3S.C22H25FN4O4S.C21H23F2N5O4S/c1-14(2)31-19-11-15(22(32)29-23(3)7-9-36(33,34)10-8-23)13-28-21(19)20(30-31)17-12-16(5-6-18(17)25)35-24(4,26)27;1-5-14(2)31-19-10-16(23(32)29-24(4)6-8-36(33,34)9-7-24)12-28-22(19)21(30-31)17-11-20(35-15(3)25)27-13-18(17)26;1-13(2)28-19-9-16(22(29)26-23(3)11-32(30,31)12-23)10-25-21(19)20(27-28)17-8-15(14-4-5-14)6-7-18(17)24;1-5-31-15-6-7-17(23)16(9-15)19-20-18(27(26-19)13(2)3)8-14(10-24-20)21(28)25-22(4)11-32(29,30)12-22;1-12(2)28-16-6-14(19(29)26-20(3)10-33(30,31)11-20)8-25-18(16)17(27-28)13-5-15(9-24-7-13)32-21(4,22)23/h5-6,11-14H,7-10H2,1-4H3,(H,29,32);10-15H,5-9H2,1-4H3,(H,29,32);6-10,13-14H,4-5,11-12H2,1-3H3,(H,26,29);6-10,13H,5,11-12H2,1-4H3,(H,25,28);5-9,12H,10-11H2,1-4H3,(H,26,29)/t;14-,15?;;;/m.0.../s1
• InChIKey: JDUWMUWQGDIYIT-JRJBSRAOSA-N
• XLogP: 18.23
• TPSA: 532.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.74
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

The IUPAC name of 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 163672518) is 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

What is the SMILES notation for 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

The canonical SMILES for 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cc(C3CC3)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.CC(C)n1nc(-c2cc(OC(C)(F)F)ccc2F)c2ncc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc21.CC(C)n1nc(-c2cncc(OC(C)(F)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.CCOc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC[C@H](C)n1nc(-c2cc(OC(C)F)ncc2F)c2ncc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc21.

What is the InChIKey of 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

The InChIKey is JDUWMUWQGDIYIT-JRJBSRAOSA-N. The full InChI is InChI=1S/C24H27F3N4O4S.C24H29F2N5O4S.C23H25FN4O3S.C22H25FN4O4S.C21H23F2N5O4S/c1-14(2)31-19-11-15(22(32)29-23(3)7-9-36(33,34)10-8-23)13-28-21(19)20(30-31)17-12-16(5-6-18(17)25)35-24(4,26)27;1-5-14(2)31-19-10-16(23(32)29-24(4)6-8-36(33,34)9-7-24)12-28-22(19)21(30-31)17-11-20(35-15(3)25)27-13-18(17)26;1-13(2)28-19-9-16(22(29)26-23(3)11-32(30,31)12-23)10-25-21(19)20(27-28)17-8-15(14-4-5-14)6-7-18(17)24;1-5-31-15-6-7-17(23)16(9-15)19-20-18(27(26-19)13(2)3)8-14(10-24-20)21(28)25-22(4)11-32(29,30)12-22;1-12(2)28-16-6-14(19(29)26-20(3)10-33(30,31)11-20)8-25-18(16)17(27-28)13-5-15(9-24-7-13)32-21(4,22)23/h5-6,11-14H,7-10H2,1-4H3,(H,29,32);10-15H,5-9H2,1-4H3,(H,29,32);6-10,13-14H,4-5,11-12H2,1-3H3,(H,26,29);6-10,13H,5,11-12H2,1-4H3,(H,25,28);5-9,12H,10-11H2,1-4H3,(H,26,29)/t;14-,15?;;;/m.0.../s1.

What are the key properties of 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 2442.74 g/mol, XLogP of 18.23, 30 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 163672518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).