2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C109H124F2N38O8S — CID 158317643

About 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158317643) has the molecular formula C109H124F2N38O8S and a molecular weight of 2164.51 g/mol. Its IUPAC name is 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158317643
• Molecular Formula: C109H124F2N38O8S
• Molecular Weight: 2164.51 g/mol
• Exact Mass: 2163.02
• IUPAC Name: 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)nc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(F)c(-c4cnn(C)c4)c3F)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3C#N)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)n3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(S(C)(=O)=O)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccnc(-c4cnn(C)c4)c3)nn2C)C1
• InChI: InChI=1S/C20H21N7O.C19H20F2N6O.3C18H21N7O.C16H20N4O3S/c1-13(28)27-8-7-19-17(12-27)20(24-26(19)3)23-18-6-4-5-15(16(18)9-21)14-10-22-25(2)11-14;1-11(28)27-7-6-16-13(10-27)19(24-26(16)3)23-15-5-4-14(20)17(18(15)21)12-8-22-25(2)9-12;1-12(26)25-7-5-17-15(11-25)18(22-24(17)3)21-14-4-6-19-16(8-14)13-9-20-23(2)10-13;1-12(26)25-7-6-17-15(11-25)18(22-24(17)3)21-14-4-5-16(19-9-14)13-8-20-23(2)10-13;1-12(26)25-8-7-16-14(11-25)18(22-24(16)3)21-17-6-4-5-15(20-17)13-9-19-23(2)10-13;1-11(21)20-8-7-15-14(10-20)16(18-19(15)2)17-12-5-4-6-13(9-12)24(3,22)23/h4-6,10-11H,7-8,12H2,1-3H3,(H,23,24);4-5,8-9H,6-7,10H2,1-3H3,(H,23,24);4,6,8-10H,5,7,11H2,1-3H3,(H,19,21,22);4-5,8-10H,6-7,11H2,1-3H3,(H,21,22);4-6,9-10H,7-8,11H2,1-3H3,(H,20,21,22);4-6,9H,7-8,10H2,1-3H3,(H,17,18)
• InChIKey: GOLOGPDCDOHYMC-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 486.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.51
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158317643) is 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)nc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(F)c(-c4cnn(C)c4)c3F)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3C#N)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)n3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(S(C)(=O)=O)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccnc(-c4cnn(C)c4)c3)nn2C)C1.

What is the InChIKey of 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is GOLOGPDCDOHYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O.C19H20F2N6O.3C18H21N7O.C16H20N4O3S/c1-13(28)27-8-7-19-17(12-27)20(24-26(19)3)23-18-6-4-5-15(16(18)9-21)14-10-22-25(2)11-14;1-11(28)27-7-6-16-13(10-27)19(24-26(16)3)23-15-5-4-14(20)17(18(15)21)12-8-22-25(2)9-12;1-12(26)25-7-5-17-15(11-25)18(22-24(17)3)21-14-4-6-19-16(8-14)13-9-20-23(2)10-13;1-12(26)25-7-6-17-15(11-25)18(22-24(17)3)21-14-4-5-16(19-9-14)13-8-20-23(2)10-13;1-12(26)25-8-7-16-14(11-25)18(22-24(16)3)21-17-6-4-5-15(20-17)13-9-19-23(2)10-13;1-11(21)20-8-7-15-14(10-20)16(18-19(15)2)17-12-5-4-6-13(9-12)24(3,22)23/h4-6,10-11H,7-8,12H2,1-3H3,(H,23,24);4-5,8-9H,6-7,10H2,1-3H3,(H,23,24);4,6,8-10H,5,7,11H2,1-3H3,(H,19,21,22);4-5,8-10H,6-7,11H2,1-3H3,(H,21,22);4-6,9-10H,7-8,11H2,1-3H3,(H,20,21,22);4-6,9H,7-8,10H2,1-3H3,(H,17,18).

What are the key properties of 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2164.51 g/mol, XLogP of 12.15, 18 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-6-(1-methylpyrazol-4-yl)benzonitrile;1-[3-[2,4-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(3-methylsulfonylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158317643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).