1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone

C93H114F3N19O13S2 — CID 163550909

About 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone

1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone (PubChem CID 163550909) has the molecular formula C93H114F3N19O13S2 and a molecular weight of 1827.18 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone
• PubChem CID: 163550909
• Molecular Formula: C93H114F3N19O13S2
• Molecular Weight: 1827.18 g/mol
• Exact Mass: 1825.82
• IUPAC Name: 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone
• SMILES: CC(C)n1nc(-c2ccnc(N(C)C)c2)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.CCN1CCN(C(=O)c2cnc3c(-c4cncc(OC(C)F)c4)nn(C(C)C)c3c2)CC1.CCOc1cc(-c2nn(C(C)C)c3cc(C(=O)C[C@@]4(C)CCC[C@H]4O)cnc23)c(F)cn1.Cc1ncc(OC(C)F)cc1-c1nn(C(C)C)c2cc(C(=O)C[C@]3(C)CS(=O)(=O)C[C@H]3O)cnc12
• InChI: InChI=1S/C24H29FN4O5S.C24H29FN4O3.C23H29FN6O2.C22H27N5O3S/c1-13(2)29-19-6-16(20(30)8-24(5)12-35(32,33)11-21(24)31)9-27-23(19)22(28-29)18-7-17(34-15(4)25)10-26-14(18)3;1-5-32-21-10-16(17(25)13-26-21)22-23-18(29(28-22)14(2)3)9-15(12-27-23)19(30)11-24(4)8-6-7-20(24)31;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;1-14(2)27-17-8-16(18(28)10-22(3)12-31(29,30)13-22)11-24-21(17)20(25-27)15-6-7-23-19(9-15)26(4)5/h6-7,9-10,13,15,21,31H,8,11-12H2,1-5H3;9-10,12-14,20,31H,5-8,11H2,1-4H3;10-16H,5-9H2,1-4H3;6-9,11,14H,10,12-13H2,1-5H3/t15?,21-,24-;20-,24-;;/m11../s1
• InChIKey: FIZJFSIKKAFLSA-KJQLHEIZSA-N
• XLogP: 14.88
• TPSA: 388.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1827.18
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone?

The IUPAC name of 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone (CID 163550909) is 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone.

What is the SMILES notation for 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone?

The canonical SMILES for 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone is CC(C)n1nc(-c2ccnc(N(C)C)c2)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.CCN1CCN(C(=O)c2cnc3c(-c4cncc(OC(C)F)c4)nn(C(C)C)c3c2)CC1.CCOc1cc(-c2nn(C(C)C)c3cc(C(=O)C[C@@]4(C)CCC[C@H]4O)cnc23)c(F)cn1.Cc1ncc(OC(C)F)cc1-c1nn(C(C)C)c2cc(C(=O)C[C@]3(C)CS(=O)(=O)C[C@H]3O)cnc12.

What is the InChIKey of 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone?

The InChIKey is FIZJFSIKKAFLSA-KJQLHEIZSA-N. The full InChI is InChI=1S/C24H29FN4O5S.C24H29FN4O3.C23H29FN6O2.C22H27N5O3S/c1-13(2)29-19-6-16(20(30)8-24(5)12-35(32,33)11-21(24)31)9-27-23(19)22(28-29)18-7-17(34-15(4)25)10-26-14(18)3;1-5-32-21-10-16(17(25)13-26-21)22-23-18(29(28-22)14(2)3)9-15(12-27-23)19(30)11-24(4)8-6-7-20(24)31;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;1-14(2)27-17-8-16(18(28)10-22(3)12-31(29,30)13-22)11-24-21(17)20(25-27)15-6-7-23-19(9-15)26(4)5/h6-7,9-10,13,15,21,31H,8,11-12H2,1-5H3;9-10,12-14,20,31H,5-8,11H2,1-4H3;10-16H,5-9H2,1-4H3;6-9,11,14H,10,12-13H2,1-5H3/t15?,21-,24-;20-,24-;;/m11../s1.

What are the key properties of 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone?

1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone has a molecular weight of 1827.18 g/mol, XLogP of 14.88, 26 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(dimethylamino)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(1R,2R)-2-hydroxy-1-methylcyclopentyl]ethanone;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;1-[3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]ethanone is sourced from PubChem (CID 163550909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).