3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C111H128F4N26O20S5 — CID 163721805

About 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 163721805) has the molecular formula C111H128F4N26O20S5 and a molecular weight of 2382.73 g/mol. Its IUPAC name is 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
• PubChem CID: 163721805
• Molecular Formula: C111H128F4N26O20S5
• Molecular Weight: 2382.73 g/mol
• Exact Mass: 2380.83
• IUPAC Name: 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
• SMILES: CC(=O)Nc1ccc(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)cc1C.CC(C)n1nc(-c2cc(OCC(C)(F)F)ncc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.CC(C)n1nc(-c2ccnc(N(C)C)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.Cc1nc2c(-c3nn(C(C)C)c4cc(C(=O)NC5(C)CS(=O)(=O)C5)cnc34)cccc2o1.Cc1ncc(OC(C)F)cc1-c1nn(C(C)C)c2cc(C(=O)N[C@]3(C)CS(=O)(=O)C[C@H]3O)cnc12
• InChI: InChI=1S/C23H28FN5O5S.C23H27N5O4S.C22H24F3N5O4S.C22H23N5O4S.C21H26N6O3S/c1-12(2)29-18-6-15(22(31)27-23(5)11-35(32,33)10-19(23)30)8-26-21(18)20(28-29)17-7-16(34-14(4)24)9-25-13(17)3;1-13(2)28-19-9-17(22(30)26-23(5)11-33(31,32)12-23)10-24-21(19)20(27-28)16-6-7-18(14(3)8-16)25-15(4)29;1-12(2)30-16-5-13(20(31)28-21(3)10-35(32,33)11-21)7-27-19(16)18(29-30)14-6-17(26-8-15(14)23)34-9-22(4,24)25;1-12(2)27-16-8-14(21(28)25-22(4)10-32(29,30)11-22)9-23-20(16)19(26-27)15-6-5-7-17-18(15)24-13(3)31-17;1-13(2)27-16-8-15(20(28)24-21(3)11-31(29,30)12-21)10-23-19(16)18(25-27)14-6-7-22-17(9-14)26(4)5/h6-9,12,14,19,30H,10-11H2,1-5H3,(H,27,31);6-10,13H,11-12H2,1-5H3,(H,25,29)(H,26,30);5-8,12H,9-11H2,1-4H3,(H,28,31);5-9,12H,10-11H2,1-4H3,(H,25,28);6-10,13H,11-12H2,1-5H3,(H,24,28)/t14?,19-,23-;;;;/m1..../s1
• InChIKey: KSEYESPTTVQARX-FPDOIYQNSA-N
• XLogP: 13.48
• TPSA: 605.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2382.73
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

The IUPAC name of 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 163721805) is 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

What is the SMILES notation for 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

The canonical SMILES for 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(=O)Nc1ccc(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)cc1C.CC(C)n1nc(-c2cc(OCC(C)(F)F)ncc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.CC(C)n1nc(-c2ccnc(N(C)C)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.Cc1nc2c(-c3nn(C(C)C)c4cc(C(=O)NC5(C)CS(=O)(=O)C5)cnc34)cccc2o1.Cc1ncc(OC(C)F)cc1-c1nn(C(C)C)c2cc(C(=O)N[C@]3(C)CS(=O)(=O)C[C@H]3O)cnc12.

What is the InChIKey of 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

The InChIKey is KSEYESPTTVQARX-FPDOIYQNSA-N. The full InChI is InChI=1S/C23H28FN5O5S.C23H27N5O4S.C22H24F3N5O4S.C22H23N5O4S.C21H26N6O3S/c1-12(2)29-18-6-15(22(31)27-23(5)11-35(32,33)10-19(23)30)8-26-21(18)20(28-29)17-7-16(34-14(4)24)9-25-13(17)3;1-13(2)28-19-9-17(22(30)26-23(5)11-33(31,32)12-23)10-24-21(19)20(27-28)16-6-7-18(14(3)8-16)25-15(4)29;1-12(2)30-16-5-13(20(31)28-21(3)10-35(32,33)11-21)7-27-19(16)18(29-30)14-6-17(26-8-15(14)23)34-9-22(4,24)25;1-12(2)27-16-8-14(21(28)25-22(4)10-32(29,30)11-22)9-23-20(16)19(26-27)15-6-5-7-17-18(15)24-13(3)31-17;1-13(2)27-16-8-15(20(28)24-21(3)11-31(29,30)12-21)10-23-19(16)18(25-27)14-6-7-22-17(9-14)26(4)5/h6-9,12,14,19,30H,10-11H2,1-5H3,(H,27,31);6-10,13H,11-12H2,1-5H3,(H,25,29)(H,26,30);5-8,12H,9-11H2,1-4H3,(H,28,31);5-9,12H,10-11H2,1-4H3,(H,25,28);6-10,13H,11-12H2,1-5H3,(H,24,28)/t14?,19-,23-;;;;/m1..../s1.

What are the key properties of 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 2382.73 g/mol, XLogP of 13.48, 27 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 163721805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).