1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone

C102H119F7N12O18S2 — CID 163433382

About 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone

1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone (PubChem CID 163433382) has the molecular formula C102H119F7N12O18S2 and a molecular weight of 1998.26 g/mol. Its IUPAC name is 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
• PubChem CID: 163433382
• Molecular Formula: C102H119F7N12O18S2
• Molecular Weight: 1998.26 g/mol
• Exact Mass: 1996.81
• IUPAC Name: 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
• SMILES: CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)CC4(C(C)(C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)CC4([C@H](C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCOCC3C(F)(F)F)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@H](C)O)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1
• InChI: InChI=1S/C27H34FN3O4.C26H27F4N3O5S.C26H32FN3O4.C23H26FN3O5S/c1-17(2)31-22-14-20(23(32)15-27(26(4,5)33)9-11-34-12-10-27)16-29-25(22)24(30-31)19-7-6-8-21(13-19)35-18(3)28;1-15(27)38-18-5-3-4-16(8-18)23-24-21(33(32-23)20-6-7-37-12-19(20)26(28,29)30)9-17(11-31-24)22(34)10-25(2)13-39(35,36)14-25;1-16(2)30-22-13-20(23(32)14-26(17(3)31)8-10-33-11-9-26)15-28-25(22)24(29-30)19-6-5-7-21(12-19)34-18(4)27;1-14(28)11-27-19-8-17(20(29)9-23(3)12-33(30,31)13-23)10-25-22(19)21(26-27)16-5-4-6-18(7-16)32-15(2)24/h6-8,13-14,16-18,33H,9-12,15H2,1-5H3;3-5,8-9,11,15,19-20H,6-7,10,12-14H2,1-2H3;5-7,12-13,15-18,31H,8-11,14H2,1-4H3;4-8,10,14-15,28H,9,11-13H2,1-3H3/t;;17-,18?;14-,15?/m..00/s1
• InChIKey: ASKBVZSRAFGNFA-FBPUSIOVSA-N
• XLogP: 18.76
• TPSA: 384.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.26
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?

The IUPAC name of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone (CID 163433382) is 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone.

What is the SMILES notation for 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?

The canonical SMILES for 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone is CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)CC4(C(C)(C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)CC4([C@H](C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCOCC3C(F)(F)F)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@H](C)O)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1.

What is the InChIKey of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?

The InChIKey is ASKBVZSRAFGNFA-FBPUSIOVSA-N. The full InChI is InChI=1S/C27H34FN3O4.C26H27F4N3O5S.C26H32FN3O4.C23H26FN3O5S/c1-17(2)31-22-14-20(23(32)15-27(26(4,5)33)9-11-34-12-10-27)16-29-25(22)24(30-31)19-7-6-8-21(13-19)35-18(3)28;1-15(27)38-18-5-3-4-16(8-18)23-24-21(33(32-23)20-6-7-37-12-19(20)26(28,29)30)9-17(11-31-24)22(34)10-25(2)13-39(35,36)14-25;1-16(2)30-22-13-20(23(32)14-26(17(3)31)8-10-33-11-9-26)15-28-25(22)24(29-30)19-6-5-7-21(12-19)34-18(4)27;1-14(28)11-27-19-8-17(20(29)9-23(3)12-33(30,31)13-23)10-25-22(19)21(26-27)16-5-4-6-18(7-16)32-15(2)24/h6-8,13-14,16-18,33H,9-12,15H2,1-5H3;3-5,8-9,11,15,19-20H,6-7,10,12-14H2,1-2H3;5-7,12-13,15-18,31H,8-11,14H2,1-4H3;4-8,10,14-15,28H,9,11-13H2,1-3H3/t;;17-,18?;14-,15?/m..00/s1.

What are the key properties of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?

1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone has a molecular weight of 1998.26 g/mol, XLogP of 18.76, 31 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone is sourced from PubChem (CID 163433382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).