2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone

C94H99Cl2N19O12S — CID 158813696

About 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone

2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone (PubChem CID 158813696) has the molecular formula C94H99Cl2N19O12S and a molecular weight of 1789.92 g/mol. Its IUPAC name is 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone.

Molecular Properties

• Compound Name: 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone
• PubChem CID: 158813696
• Molecular Formula: C94H99Cl2N19O12S
• Molecular Weight: 1789.92 g/mol
• Exact Mass: 1787.68
• IUPAC Name: 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone
• SMILES: CC(C)OCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.CS(=O)(=O)c1cccc(OCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1.O=C(COC1CCCCC1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccc(Cl)nn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1cnc(Cl)cn1)N1CCc2[nH]nc(-c3ccccc3)c2C1
• InChI: InChI=1S/C21H21N3O4S.C20H25N3O2.2C18H16ClN5O2.C17H21N3O2/c1-29(26,27)17-9-5-8-16(12-17)28-14-20(25)24-11-10-19-18(13-24)21(23-22-19)15-6-3-2-4-7-15;24-19(14-25-16-9-5-2-6-10-16)23-12-11-18-17(13-23)20(22-21-18)15-7-3-1-4-8-15;19-15-8-21-16(9-20-15)26-11-17(25)24-7-6-14-13(10-24)18(23-22-14)12-4-2-1-3-5-12;19-15-6-7-16(22-21-15)26-11-17(25)24-9-8-14-13(10-24)18(23-20-14)12-4-2-1-3-5-12;1-12(2)22-11-16(21)20-9-8-15-14(10-20)17(19-18-15)13-6-4-3-5-7-13/h2-9,12H,10-11,13-14H2,1H3,(H,22,23);1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22);1-5,8-9H,6-7,10-11H2,(H,22,23);1-7H,8-11H2,(H,20,23);3-7,12H,8-11H2,1-2H3,(H,18,19)
• InChIKey: IUZRLHCVQOTDPQ-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 376.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1789.92
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone?

The IUPAC name of 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone (CID 158813696) is 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone.

What is the SMILES notation for 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone?

The canonical SMILES for 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.CS(=O)(=O)c1cccc(OCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1.O=C(COC1CCCCC1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccc(Cl)nn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1cnc(Cl)cn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.

What is the InChIKey of 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone?

The InChIKey is IUZRLHCVQOTDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S.C20H25N3O2.2C18H16ClN5O2.C17H21N3O2/c1-29(26,27)17-9-5-8-16(12-17)28-14-20(25)24-11-10-19-18(13-24)21(23-22-19)15-6-3-2-4-7-15;24-19(14-25-16-9-5-2-6-10-16)23-12-11-18-17(13-23)20(22-21-18)15-7-3-1-4-8-15;19-15-8-21-16(9-20-15)26-11-17(25)24-7-6-14-13(10-24)18(23-22-14)12-4-2-1-3-5-12;19-15-6-7-16(22-21-15)26-11-17(25)24-9-8-14-13(10-24)18(23-20-14)12-4-2-1-3-5-12;1-12(2)22-11-16(21)20-9-8-15-14(10-20)17(19-18-15)13-6-4-3-5-7-13/h2-9,12H,10-11,13-14H2,1H3,(H,22,23);1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22);1-5,8-9H,6-7,10-11H2,(H,22,23);1-7H,8-11H2,(H,20,23);3-7,12H,8-11H2,1-2H3,(H,18,19).

What are the key properties of 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone?

2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone has a molecular weight of 1789.92 g/mol, XLogP of 13.11, 21 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyridazin-3-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-cyclohexyloxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 158813696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).