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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone

C74H80ClN15O8 — CID 158134711

About 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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone

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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone (PubChem CID 158134711) has the molecular formula C74H80ClN15O8 and a molecular weight of 1343.00 g/mol. Its IUPAC name is 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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone.

Molecular Properties

• Compound Name: 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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone
• PubChem CID: 158134711
• Molecular Formula: C74H80ClN15O8
• Molecular Weight: 1343.00 g/mol
• Exact Mass: 1341.60
• IUPAC Name: 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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone
• SMILES: CC(C)OCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COC1CCCCC1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccc(Cl)nn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1cccnc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
• InChI: InChI=1S/C20H25N3O2.C19H18N4O2.C18H16ClN5O2.C17H21N3O2/c24-19(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;24-18(13-25-15-7-4-9-20-11-15)23-10-8-17-16(12-23)19(22-21-17)14-5-2-1-3-6-14;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/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22);1-7,9,11H,8,10,12-13H2,(H,21,22);1-7H,8-11H2,(H,20,23);3-7,12H,8-11H2,1-2H3,(H,18,19)
• InChIKey: FTFALTOIWYIDGC-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 271.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1343.00
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone (CID 158134711) is 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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone.

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

The canonical SMILES for 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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone is CC(C)OCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COC1CCCCC1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccc(Cl)nn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1cccnc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.

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

The InChIKey is FTFALTOIWYIDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.C19H18N4O2.C18H16ClN5O2.C17H21N3O2/c24-19(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;24-18(13-25-15-7-4-9-20-11-15)23-10-8-17-16(12-23)19(22-21-17)14-5-2-1-3-6-14;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/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22);1-7,9,11H,8,10,12-13H2,(H,21,22);1-7H,8-11H2,(H,20,23);3-7,12H,8-11H2,1-2H3,(H,18,19).

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

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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone has a molecular weight of 1343.00 g/mol, XLogP of 10.62, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-propan-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 158134711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).