3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C137H143F6N25O13S2 — CID 158891311

About 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158891311) has the molecular formula C137H143F6N25O13S2 and a molecular weight of 2525.93 g/mol. Its IUPAC name is 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158891311
• Molecular Formula: C137H143F6N25O13S2
• Molecular Weight: 2525.93 g/mol
• Exact Mass: 2524.06
• IUPAC Name: 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Cc3ccc(-c4ccc(C#N)nc4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Cc3ccc(-c4cccc(CS(C)(=O)=O)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccc(CS(C)(=O)=O)cc4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(OC(F)(F)F)c4)cc3)nn2C)C1
• InChI: InChI=1S/C24H27N5O2.C24H27N3O3S.C23H26N4O3S.2C22H21F3N4O2.C22H21N5O/c1-16(30)29-13-12-22-21(15-29)23(26-28(22)4)25-20-10-8-17(9-11-20)18-6-5-7-19(14-18)24(31)27(2)3;1-17(28)27-12-11-24-22(15-27)23(25-26(24)2)14-18-7-9-20(10-8-18)21-6-4-5-19(13-21)16-31(3,29)30;1-16(28)27-13-12-22-21(14-27)23(25-26(22)2)24-20-10-8-19(9-11-20)18-6-4-17(5-7-18)15-31(3,29)30;1-14(30)29-12-11-20-19(13-29)21(27-28(20)2)26-17-7-3-15(4-8-17)16-5-9-18(10-6-16)31-22(23,24)25;1-14(30)29-11-10-20-19(13-29)21(27-28(20)2)26-17-8-6-15(7-9-17)16-4-3-5-18(12-16)31-22(23,24)25;1-15(28)27-10-9-22-20(14-27)21(25-26(22)2)11-16-3-5-17(6-4-16)18-7-8-19(12-23)24-13-18/h5-11,14H,12-13,15H2,1-4H3,(H,25,26);4-10,13H,11-12,14-16H2,1-3H3;4-11H,12-15H2,1-3H3,(H,24,25);3-10H,11-13H2,1-2H3,(H,26,27);3-9,12H,10-11,13H2,1-2H3,(H,26,27);3-8,13H,9-11,14H2,1-2H3
• InChIKey: JEGRKKNAWJUZQW-UHFFFAOYSA-N
• XLogP: 21.96
• TPSA: 420.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.93
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158891311) is 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Cc3ccc(-c4ccc(C#N)nc4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Cc3ccc(-c4cccc(CS(C)(=O)=O)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccc(CS(C)(=O)=O)cc4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(OC(F)(F)F)c4)cc3)nn2C)C1.

What is the InChIKey of 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is JEGRKKNAWJUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.C24H27N3O3S.C23H26N4O3S.2C22H21F3N4O2.C22H21N5O/c1-16(30)29-13-12-22-21(15-29)23(26-28(22)4)25-20-10-8-17(9-11-20)18-6-5-7-19(14-18)24(31)27(2)3;1-17(28)27-12-11-24-22(15-27)23(25-26(24)2)14-18-7-9-20(10-8-18)21-6-4-5-19(13-21)16-31(3,29)30;1-16(28)27-13-12-22-21(14-27)23(25-26(22)2)24-20-10-8-19(9-11-20)18-6-4-17(5-7-18)15-31(3,29)30;1-14(30)29-12-11-20-19(13-29)21(27-28(20)2)26-17-7-3-15(4-8-17)16-5-9-18(10-6-16)31-22(23,24)25;1-14(30)29-11-10-20-19(13-29)21(27-28(20)2)26-17-8-6-15(7-9-17)16-4-3-5-18(12-16)31-22(23,24)25;1-15(28)27-10-9-22-20(14-27)21(25-26(22)2)11-16-3-5-17(6-4-16)18-7-8-19(12-23)24-13-18/h5-11,14H,12-13,15H2,1-4H3,(H,25,26);4-10,13H,11-12,14-16H2,1-3H3;4-11H,12-15H2,1-3H3,(H,24,25);3-10H,11-13H2,1-2H3,(H,26,27);3-9,12H,10-11,13H2,1-2H3,(H,26,27);3-8,13H,9-11,14H2,1-2H3.

What are the key properties of 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2525.93 g/mol, XLogP of 21.96, 25 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N,N-dimethylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]pyridine-2-carbonitrile;1-[1-methyl-3-[4-[4-(methylsulfonylmethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-[3-(methylsulfonylmethyl)phenyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[3-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(trifluoromethoxy)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158891311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).