3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane

C118H142F10N24O20S3 — CID 163608177

About 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane

3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane (PubChem CID 163608177) has the molecular formula C118H142F10N24O20S3 and a molecular weight of 2502.76 g/mol. Its IUPAC name is 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane.

Molecular Properties

• Compound Name: 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane
• PubChem CID: 163608177
• Molecular Formula: C118H142F10N24O20S3
• Molecular Weight: 2502.76 g/mol
• Exact Mass: 2500.98
• IUPAC Name: 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane
• SMILES: C.CC(F)Oc1cc(-c2nn([C@H](C)C(C)(C)O)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)ncc23)c(F)cn1.CCN1CCN(C(=O)c2cnc3c(-c4cncc(OC(C)F)c4)nn(C(C)C)c3c2)CC1.CCOc1cc(-c2nn(C(C)C)c3cc(C(=O)N[C@@]4(C)CCC[C@H]4O)cnc23)c(F)cn1.C[C@@H](n1nc(-c2cc(OC(C)(F)F)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21)C(C)(C)O.C[C@H](n1nc(-c2cc(OC(C)(F)F)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21)C(C)(C)O
• InChI: InChI=1S/2C24H27F3N4O5S.C23H27F2N5O5S.C23H29FN6O2.C23H28FN5O3.CH4/c2*1-13(22(2,3)33)31-18-8-14(21(32)29-23(4)11-37(34,35)12-23)10-28-20(18)19(30-31)16-9-15(6-7-17(16)25)36-24(5,26)27;1-12(22(3,4)32)30-18-7-17(21(31)28-23(5)10-36(33,34)11-23)26-8-15(18)20(29-30)14-6-19(35-13(2)24)27-9-16(14)25;1-5-28-6-8-29(9-7-28)23(31)18-11-20-22(26-13-18)21(27-30(20)15(2)3)17-10-19(14-25-12-17)32-16(4)24;1-5-32-19-10-15(16(24)12-25-19)20-21-17(29(28-20)13(2)3)9-14(11-26-21)22(31)27-23(4)8-6-7-18(23)30;/h2*6-10,13,33H,11-12H2,1-5H3,(H,29,32);6-9,12-13,32H,10-11H2,1-5H3,(H,28,31);10-16H,5-9H2,1-4H3;9-13,18,30H,5-8H2,1-4H3,(H,27,31);1H4/t2*13-;12-,13?;;18-,23+;/m101.1./s1
• InChIKey: HDPFEBGGZDPOGD-OECBYQJJSA-N
• XLogP: 17.36
• TPSA: 561.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2502.76
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane?

The IUPAC name of 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane (CID 163608177) is 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane.

What is the SMILES notation for 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane?

The canonical SMILES for 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane is C.CC(F)Oc1cc(-c2nn([C@H](C)C(C)(C)O)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)ncc23)c(F)cn1.CCN1CCN(C(=O)c2cnc3c(-c4cncc(OC(C)F)c4)nn(C(C)C)c3c2)CC1.CCOc1cc(-c2nn(C(C)C)c3cc(C(=O)N[C@@]4(C)CCC[C@H]4O)cnc23)c(F)cn1.C[C@@H](n1nc(-c2cc(OC(C)(F)F)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21)C(C)(C)O.C[C@H](n1nc(-c2cc(OC(C)(F)F)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21)C(C)(C)O.

What is the InChIKey of 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane?

The InChIKey is HDPFEBGGZDPOGD-OECBYQJJSA-N. The full InChI is InChI=1S/2C24H27F3N4O5S.C23H27F2N5O5S.C23H29FN6O2.C23H28FN5O3.CH4/c2*1-13(22(2,3)33)31-18-8-14(21(32)29-23(4)11-37(34,35)12-23)10-28-20(18)19(30-31)16-9-15(6-7-17(16)25)36-24(5,26)27;1-12(22(3,4)32)30-18-7-17(21(31)28-23(5)10-36(33,34)11-23)26-8-15(18)20(29-30)14-6-19(35-13(2)24)27-9-16(14)25;1-5-28-6-8-29(9-7-28)23(31)18-11-20-22(26-13-18)21(27-30(20)15(2)3)17-10-19(14-25-12-17)32-16(4)24;1-5-32-19-10-15(16(24)12-25-19)20-21-17(29(28-20)13(2)3)9-14(11-26-21)22(31)27-23(4)8-6-7-18(23)30;/h2*6-10,13,33H,11-12H2,1-5H3,(H,29,32);6-9,12-13,32H,10-11H2,1-5H3,(H,28,31);10-16H,5-9H2,1-4H3;9-13,18,30H,5-8H2,1-4H3,(H,27,31);1H4/t2*13-;12-,13?;;18-,23+;/m101.1./s1.

What are the key properties of 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane?

3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane has a molecular weight of 2502.76 g/mol, XLogP of 17.36, 33 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane is sourced from PubChem (CID 163608177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).