1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone

C95H105F5N12O15S2 — CID 163426906

About 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]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-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone (PubChem CID 163426906) has the molecular formula C95H105F5N12O15S2 and a molecular weight of 1814.08 g/mol. Its IUPAC name is 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
• PubChem CID: 163426906
• Molecular Formula: C95H105F5N12O15S2
• Molecular Weight: 1814.08 g/mol
• Exact Mass: 1812.72
• IUPAC Name: 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
• SMILES: CC(F)Oc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)ncc23)c1.CC(F)Oc1cccc(-c2cn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)C[C@@]4(CO)CCOC4)cnc23)c1.[C-]#[N+][C@@]1(CC(=O)c2cnc3c(-c4cccc(OC(C)F)c4)nn(C(C)C)c3c2)CCOC1
• InChI: InChI=1S/C24H25FN4O3.C24H28FN3O4.C24H27FN2O4S.C23H25F2N3O4S/c1-15(2)29-20-11-18(21(30)12-24(26-4)8-9-31-14-24)13-27-23(20)22(28-29)17-6-5-7-19(10-17)32-16(3)25;1-15(2)28-20-10-18(21(30)11-24(13-29)7-8-31-14-24)12-26-23(20)22(27-28)17-5-4-6-19(9-17)32-16(3)25;1-15(2)27-12-20(17-6-5-7-19(8-17)31-16(3)25)23-21(27)9-18(11-26-23)22(28)10-24(4)13-32(29,30)14-24;1-13(2)28-20-8-19(21(29)9-23(4)11-33(30,31)12-23)26-10-17(20)22(27-28)16-7-15(32-14(3)24)5-6-18(16)25/h5-7,10-11,13,15-16H,8-9,12,14H2,1-3H3;4-6,9-10,12,15-16,29H,7-8,11,13-14H2,1-3H3;5-9,11-12,15-16H,10,13-14H2,1-4H3;5-8,10,13-14H,9,11-12H2,1-4H3/t2*16?,24-;;/m11../s1
• InChIKey: ANHZNRZGXVMMKA-VGTCLFAESA-N
• XLogP: 18.88
• TPSA: 326.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1814.08
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?

The IUPAC name of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone (CID 163426906) is 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]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-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?

The canonical SMILES for 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone is CC(F)Oc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)ncc23)c1.CC(F)Oc1cccc(-c2cn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)C[C@@]4(CO)CCOC4)cnc23)c1.[C-]#[N+][C@@]1(CC(=O)c2cnc3c(-c4cccc(OC(C)F)c4)nn(C(C)C)c3c2)CCOC1.

What is the InChIKey of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?

The InChIKey is ANHZNRZGXVMMKA-VGTCLFAESA-N. The full InChI is InChI=1S/C24H25FN4O3.C24H28FN3O4.C24H27FN2O4S.C23H25F2N3O4S/c1-15(2)29-20-11-18(21(30)12-24(26-4)8-9-31-14-24)13-27-23(20)22(28-29)17-6-5-7-19(10-17)32-16(3)25;1-15(2)28-20-10-18(21(30)11-24(13-29)7-8-31-14-24)12-26-23(20)22(27-28)17-5-4-6-19(9-17)32-16(3)25;1-15(2)27-12-20(17-6-5-7-19(8-17)31-16(3)25)23-21(27)9-18(11-26-23)22(28)10-24(4)13-32(29,30)14-24;1-13(2)28-20-8-19(21(29)9-23(4)11-33(30,31)12-23)26-10-17(20)22(27-28)16-7-15(32-14(3)24)5-6-18(16)25/h5-7,10-11,13,15-16H,8-9,12,14H2,1-3H3;4-6,9-10,12,15-16,29H,7-8,11,13-14H2,1-3H3;5-9,11-12,15-16H,10,13-14H2,1-4H3;5-8,10,13-14H,9,11-12H2,1-4H3/t2*16?,24-;;/m11../s1.

What are the key properties of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]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-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone has a molecular weight of 1814.08 g/mol, XLogP of 18.88, 29 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-isocyanooxolan-3-yl]ethanone;1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone is sourced from PubChem (CID 163426906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).