4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide

C130H128F3N31O12S5 — CID 160550479

About 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide

4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide (PubChem CID 160550479) has the molecular formula C130H128F3N31O12S5 and a molecular weight of 2533.99 g/mol. Its IUPAC name is 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide
• PubChem CID: 160550479
• Molecular Formula: C130H128F3N31O12S5
• Molecular Weight: 2533.99 g/mol
• Exact Mass: 2531.89
• IUPAC Name: 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide
• SMILES: CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1C(C)C)CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1N(C)C)CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1OC(F)(F)F)CC2.CCOc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2.CCc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2
• InChI: InChI=1S/C27H28N6O2S.C26H27N7O2S.C26H26N6O3S.C26H26N6O2S.C25H21F3N6O3S/c1-15(2)20-13-17(26(35)32(4)5)8-11-22(20)33-24-19(23(31-33)18-7-6-12-28-14-18)9-10-21-25(24)36-27(30-21)29-16(3)34;1-15(34)28-26-29-19-10-9-18-22(17-7-6-12-27-14-17)30-33(23(18)24(19)36-26)20-11-8-16(25(35)32(4)5)13-21(20)31(2)3;1-5-35-21-13-16(25(34)31(3)4)8-11-20(21)32-23-18(22(30-32)17-7-6-12-27-14-17)9-10-19-24(23)36-26(29-19)28-15(2)33;1-5-16-13-17(25(34)31(3)4)8-11-21(16)32-23-19(22(30-32)18-7-6-12-27-14-18)9-10-20-24(23)35-26(29-20)28-15(2)33;1-13(35)30-24-31-17-8-7-16-20(15-5-4-10-29-12-15)32-34(21(16)22(17)38-24)18-9-6-14(23(36)33(2)3)11-19(18)37-25(26,27)28/h6-8,11-15H,9-10H2,1-5H3,(H,29,30,34);6-8,11-14H,9-10H2,1-5H3,(H,28,29,34);6-8,11-14H,5,9-10H2,1-4H3,(H,28,29,33);6-8,11-14H,5,9-10H2,1-4H3,(H,28,29,33);4-6,9-12H,7-8H2,1-3H3,(H,30,31,35)
• InChIKey: QXZOPJUTFLLLMK-UHFFFAOYSA-N
• XLogP: 22.13
• TPSA: 486.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.99
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide?

The IUPAC name of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide (CID 160550479) is 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide.

What is the SMILES notation for 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide?

The canonical SMILES for 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide is CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1C(C)C)CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1N(C)C)CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1OC(F)(F)F)CC2.CCOc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2.CCc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2.

What is the InChIKey of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide?

The InChIKey is QXZOPJUTFLLLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2S.C26H27N7O2S.C26H26N6O3S.C26H26N6O2S.C25H21F3N6O3S/c1-15(2)20-13-17(26(35)32(4)5)8-11-22(20)33-24-19(23(31-33)18-7-6-12-28-14-18)9-10-21-25(24)36-27(30-21)29-16(3)34;1-15(34)28-26-29-19-10-9-18-22(17-7-6-12-27-14-17)30-33(23(18)24(19)36-26)20-11-8-16(25(35)32(4)5)13-21(20)31(2)3;1-5-35-21-13-16(25(34)31(3)4)8-11-20(21)32-23-18(22(30-32)17-7-6-12-27-14-17)9-10-19-24(23)36-26(29-19)28-15(2)33;1-5-16-13-17(25(34)31(3)4)8-11-21(16)32-23-19(22(30-32)18-7-6-12-27-14-18)9-10-20-24(23)35-26(29-20)28-15(2)33;1-13(35)30-24-31-17-8-7-16-20(15-5-4-10-29-12-15)32-34(21(16)22(17)38-24)18-9-6-14(23(36)33(2)3)11-19(18)37-25(26,27)28/h6-8,11-15H,9-10H2,1-5H3,(H,29,30,34);6-8,11-14H,9-10H2,1-5H3,(H,28,29,34);6-8,11-14H,5,9-10H2,1-4H3,(H,28,29,33);6-8,11-14H,5,9-10H2,1-4H3,(H,28,29,33);4-6,9-12H,7-8H2,1-3H3,(H,30,31,35).

What are the key properties of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide?

4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide has a molecular weight of 2533.99 g/mol, XLogP of 22.13, 26 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(dimethylamino)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-propan-2-ylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N,N-dimethyl-3-(trifluoromethoxy)benzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethoxy-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide is sourced from PubChem (CID 160550479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).