1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone

C91H100F5N17O16S4 — CID 163629694

About 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone

1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone (PubChem CID 163629694) has the molecular formula C91H100F5N17O16S4 and a molecular weight of 1911.16 g/mol. Its IUPAC name is 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone
• PubChem CID: 163629694
• Molecular Formula: C91H100F5N17O16S4
• Molecular Weight: 1911.16 g/mol
• Exact Mass: 1909.63
• IUPAC Name: 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone
• SMILES: C=C(C)Nc1ccc(-c2nn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)cc1O.CC(C)n1nc(-c2cc(OCC(C)(F)F)ncc2F)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.CCn1nc(-c2cc(OCC(C)F)ncc2F)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.Cc1nc2c(-c3nn(C(C)C)c4cc(C(=O)CC5(C)CS(=O)(=O)C5)cnc34)ccnc2o1
• InChI: InChI=1S/C24H28N4O4S.C23H25F3N4O4S.C22H24F2N4O4S.C22H23N5O4S/c1-14(2)26-18-7-6-16(9-20(18)29)22-23-19(28(27-22)15(3)4)8-17(11-25-23)21(30)10-24(5)12-33(31,32)13-24;1-13(2)30-17-5-14(18(31)7-22(3)11-35(32,33)12-22)8-28-21(17)20(29-30)15-6-19(27-9-16(15)24)34-10-23(4,25)26;1-4-28-17-5-14(18(29)7-22(3)11-33(30,31)12-22)8-26-21(17)20(27-28)15-6-19(25-9-16(15)24)32-10-13(2)23;1-12(2)27-16-7-14(17(28)8-22(4)10-32(29,30)11-22)9-24-20(16)18(26-27)15-5-6-23-21-19(15)25-13(3)31-21/h6-9,11,15,26,29H,1,10,12-13H2,2-5H3;5-6,8-9,13H,7,10-12H2,1-4H3;5-6,8-9,13H,4,7,10-12H2,1-3H3;5-7,9,12H,8,10-11H2,1-4H3
• InChIKey: HVAHMDIFWYEVBI-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 443.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1911.16
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone?

The IUPAC name of 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone (CID 163629694) is 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone.

What is the SMILES notation for 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone?

The canonical SMILES for 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone is C=C(C)Nc1ccc(-c2nn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)cc1O.CC(C)n1nc(-c2cc(OCC(C)(F)F)ncc2F)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.CCn1nc(-c2cc(OCC(C)F)ncc2F)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.Cc1nc2c(-c3nn(C(C)C)c4cc(C(=O)CC5(C)CS(=O)(=O)C5)cnc34)ccnc2o1.

What is the InChIKey of 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone?

The InChIKey is HVAHMDIFWYEVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S.C23H25F3N4O4S.C22H24F2N4O4S.C22H23N5O4S/c1-14(2)26-18-7-6-16(9-20(18)29)22-23-19(28(27-22)15(3)4)8-17(11-25-23)21(30)10-24(5)12-33(31,32)13-24;1-13(2)30-17-5-14(18(31)7-22(3)11-35(32,33)12-22)8-28-21(17)20(29-30)15-6-19(27-9-16(15)24)34-10-23(4,25)26;1-4-28-17-5-14(18(29)7-22(3)11-33(30,31)12-22)8-26-21(17)20(27-28)15-6-19(25-9-16(15)24)32-10-13(2)23;1-12(2)27-16-7-14(17(28)8-22(4)10-32(29,30)11-22)9-24-20(16)18(26-27)15-5-6-23-21-19(15)25-13(3)31-21/h6-9,11,15,26,29H,1,10,12-13H2,2-5H3;5-6,8-9,13H,7,10-12H2,1-4H3;5-6,8-9,13H,4,7,10-12H2,1-3H3;5-7,9,12H,8,10-11H2,1-4H3.

What are the key properties of 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone?

1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone has a molecular weight of 1911.16 g/mol, XLogP of 15.52, 28 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 163629694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).