4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide

C129H121F3N30O14S5 — CID 157254088

About 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide

4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide (PubChem CID 157254088) has the molecular formula C129H121F3N30O14S5 and a molecular weight of 2532.91 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-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-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-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide
• PubChem CID: 157254088
• Molecular Formula: C129H121F3N30O14S5
• Molecular Weight: 2532.91 g/mol
• Exact Mass: 2530.82
• IUPAC Name: 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide
• SMILES: C#Cc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1OC(C)C)CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1OC(F)F)CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1OCF)CC2.COCc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2
• InChI: InChI=1S/C27H28N6O3S.C26H26N6O3S.C26H22N6O2S.C25H22F2N6O3S.C25H23FN6O3S/c1-15(2)36-22-13-17(26(35)32(4)5)8-11-21(22)33-24-19(23(31-33)18-7-6-12-28-14-18)9-10-20-25(24)37-27(30-20)29-16(3)34;1-15(33)28-26-29-20-9-8-19-22(17-6-5-11-27-13-17)30-32(23(19)24(20)36-26)21-10-7-16(25(34)31(2)3)12-18(21)14-35-4;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(34)29-25-30-17-8-7-16-20(15-5-4-10-28-12-15)31-33(21(16)22(17)37-25)18-9-6-14(23(35)32(2)3)11-19(18)36-24(26)27;1-14(33)28-25-29-18-8-7-17-21(16-5-4-10-27-12-16)30-32(22(17)23(18)36-25)19-9-6-15(24(34)31(2)3)11-20(19)35-13-26/h6-8,11-15H,9-10H2,1-5H3,(H,29,30,34);5-7,10-13H,8-9,14H2,1-4H3,(H,28,29,33);1,6-8,11-14H,9-10H2,2-4H3,(H,28,29,33);4-6,9-12,24H,7-8H2,1-3H3,(H,29,30,34);4-6,9-12H,7-8,13H2,1-3H3,(H,28,29,33)
• InChIKey: AWRIZIQFOGVRIH-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 501.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 28
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2532.91
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

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-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-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-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide (CID 157254088) is 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-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-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-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-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide is C#Cc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1OC(C)C)CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1OC(F)F)CC2.CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N(C)C)cc1OCF)CC2.COCc1cc(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-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide?

The InChIKey is AWRIZIQFOGVRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3S.C26H26N6O3S.C26H22N6O2S.C25H22F2N6O3S.C25H23FN6O3S/c1-15(2)36-22-13-17(26(35)32(4)5)8-11-21(22)33-24-19(23(31-33)18-7-6-12-28-14-18)9-10-20-25(24)37-27(30-20)29-16(3)34;1-15(33)28-26-29-20-9-8-19-22(17-6-5-11-27-13-17)30-32(23(19)24(20)36-26)21-10-7-16(25(34)31(2)3)12-18(21)14-35-4;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(34)29-25-30-17-8-7-16-20(15-5-4-10-28-12-15)31-33(21(16)22(17)37-25)18-9-6-14(23(35)32(2)3)11-19(18)36-24(26)27;1-14(33)28-25-29-18-8-7-17-21(16-5-4-10-27-12-16)30-32(22(17)23(18)36-25)19-9-6-15(24(34)31(2)3)11-20(19)35-13-26/h6-8,11-15H,9-10H2,1-5H3,(H,29,30,34);5-7,10-13H,8-9,14H2,1-4H3,(H,28,29,33);1,6-8,11-14H,9-10H2,2-4H3,(H,28,29,33);4-6,9-12,24H,7-8H2,1-3H3,(H,29,30,34);4-6,9-12H,7-8,13H2,1-3H3,(H,28,29,33).

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-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide?

4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide has a molecular weight of 2532.91 g/mol, XLogP of 20.91, 28 rotatable bonds, 5 hydrogen bond donors, and 39 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-(difluoromethoxy)-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-yloxybenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethynyl-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(fluoromethoxy)-N,N-dimethylbenzamide;4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-(methoxymethyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 157254088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).