1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone

C93H107FN14O13S3 — CID 163516546

About 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone

1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone (PubChem CID 163516546) has the molecular formula C93H107FN14O13S3 and a molecular weight of 1744.16 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone
• PubChem CID: 163516546
• Molecular Formula: C93H107FN14O13S3
• Molecular Weight: 1744.16 g/mol
• Exact Mass: 1742.73
• IUPAC Name: 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone
• SMILES: CC(C)n1nc(-c2cccc(C3(C)CC3)c2)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.CC(C)n1nc(-c2cncc(OC3CC3)c2)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.CC(F)Oc1cncc(-c2nn(C(C)C)c3cc(C(=O)C[C@H]4CCC[C@H]4O)cnc23)c1.Cc1cccc(-c2nn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1
• InChI: InChI=1S/C25H29N3O3S.C23H27FN4O3.C23H26N4O4S.C22H25N3O3S/c1-16(2)28-20-11-18(21(29)12-24(3)14-32(30,31)15-24)13-26-23(20)22(27-28)17-6-5-7-19(10-17)25(4)8-9-25;1-13(2)28-19-8-16(21(30)9-15-5-4-6-20(15)29)11-26-23(19)22(27-28)17-7-18(12-25-10-17)31-14(3)24;1-14(2)27-19-7-15(20(28)8-23(3)12-32(29,30)13-23)10-25-22(19)21(26-27)16-6-18(11-24-9-16)31-17-4-5-17;1-14(2)25-18-9-17(19(26)10-22(4)12-29(27,28)13-22)11-23-21(18)20(24-25)16-7-5-6-15(3)8-16/h5-7,10-11,13,16H,8-9,12,14-15H2,1-4H3;7-8,10-15,20,29H,4-6,9H2,1-3H3;6-7,9-11,14,17H,4-5,8,12-13H2,1-3H3;5-9,11,14H,10,12-13H2,1-4H3/t;14?,15-,20-;;/m.1../s1
• InChIKey: DHGAZAROFTWQJA-SDSIZVKGSA-N
• XLogP: 16.86
• TPSA: 358.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1744.16
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone?

The IUPAC name of 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone (CID 163516546) is 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone.

What is the SMILES notation for 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone?

The canonical SMILES for 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone is CC(C)n1nc(-c2cccc(C3(C)CC3)c2)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.CC(C)n1nc(-c2cncc(OC3CC3)c2)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.CC(F)Oc1cncc(-c2nn(C(C)C)c3cc(C(=O)C[C@H]4CCC[C@H]4O)cnc23)c1.Cc1cccc(-c2nn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1.

What is the InChIKey of 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone?

The InChIKey is DHGAZAROFTWQJA-SDSIZVKGSA-N. The full InChI is InChI=1S/C25H29N3O3S.C23H27FN4O3.C23H26N4O4S.C22H25N3O3S/c1-16(2)28-20-11-18(21(29)12-24(3)14-32(30,31)15-24)13-26-23(20)22(27-28)17-6-5-7-19(10-17)25(4)8-9-25;1-13(2)28-19-8-16(21(30)9-15-5-4-6-20(15)29)11-26-23(19)22(27-28)17-7-18(12-25-10-17)31-14(3)24;1-14(2)27-19-7-15(20(28)8-23(3)12-32(29,30)13-23)10-25-22(19)21(26-27)16-6-18(11-24-9-16)31-17-4-5-17;1-14(2)25-18-9-17(19(26)10-22(4)12-29(27,28)13-22)11-23-21(18)20(24-25)16-7-5-6-15(3)8-16/h5-7,10-11,13,16H,8-9,12,14-15H2,1-4H3;7-8,10-15,20,29H,4-6,9H2,1-3H3;6-7,9-11,14,17H,4-5,8,12-13H2,1-3H3;5-9,11,14H,10,12-13H2,1-4H3/t;14?,15-,20-;;/m.1../s1.

What are the key properties of 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone?

1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone has a molecular weight of 1744.16 g/mol, XLogP of 16.86, 25 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-cyclopropyloxy-3-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone;1-[3-[3-(1-methylcyclopropyl)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-(3-methylphenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 163516546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).