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

C107H103N23O10S — CID 158772953

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

5-benzylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;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-pyridin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone (PubChem CID 158772953) has the molecular formula C107H103N23O10S and a molecular weight of 1903.22 g/mol. Its IUPAC name is 5-benzylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;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-pyridin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone.

Molecular Properties

• Compound Name: 5-benzylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;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-pyridin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone
• PubChem CID: 158772953
• Molecular Formula: C107H103N23O10S
• Molecular Weight: 1903.22 g/mol
• Exact Mass: 1901.80
• IUPAC Name: 5-benzylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;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-pyridin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone
• SMILES: CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccccn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccncn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ncccn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(c1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=S(=O)(Cc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
• InChI: InChI=1S/C19H18N4O2.C19H19N3O2S.C19H17N3O.2C18H17N5O2.C14H15N3O/c24-18(13-25-17-8-4-5-10-20-17)23-11-9-16-15(12-23)19(22-21-16)14-6-2-1-3-7-14;23-25(24,14-15-7-3-1-4-8-15)22-12-11-18-17(13-22)19(21-20-18)16-9-5-2-6-10-16;23-19(15-9-5-2-6-10-15)22-12-11-17-16(13-22)18(21-20-17)14-7-3-1-4-8-14;24-16(12-25-18-19-8-4-9-20-18)23-10-7-15-14(11-23)17(22-21-15)13-5-2-1-3-6-13;24-17(11-25-16-6-8-19-12-20-16)23-9-7-15-14(10-23)18(22-21-15)13-4-2-1-3-5-13;1-10(18)17-8-7-13-12(9-17)14(16-15-13)11-5-3-2-4-6-11/h1-8,10H,9,11-13H2,(H,21,22);1-10H,11-14H2,(H,20,21);1-10H,11-13H2,(H,20,21);1-6,8-9H,7,10-12H2,(H,21,22);1-6,8,12H,7,9-11H2,(H,21,22);2-6H,7-9H2,1H3,(H,15,16)
• InChIKey: IQCKZZDLJZEXRS-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 403.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1903.22
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 5-benzylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;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-pyridin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone (CID 158772953) is 5-benzylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;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-pyridin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone.

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

The canonical SMILES for 5-benzylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;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-pyridin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone is CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccccn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccncn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ncccn1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(c1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=S(=O)(Cc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.

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

The InChIKey is IQCKZZDLJZEXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.C19H19N3O2S.C19H17N3O.2C18H17N5O2.C14H15N3O/c24-18(13-25-17-8-4-5-10-20-17)23-11-9-16-15(12-23)19(22-21-16)14-6-2-1-3-7-14;23-25(24,14-15-7-3-1-4-8-15)22-12-11-18-17(13-22)19(21-20-18)16-9-5-2-6-10-16;23-19(15-9-5-2-6-10-15)22-12-11-17-16(13-22)18(21-20-17)14-7-3-1-4-8-14;24-16(12-25-18-19-8-4-9-20-18)23-10-7-15-14(11-23)17(22-21-15)13-5-2-1-3-6-13;24-17(11-25-16-6-8-19-12-20-16)23-9-7-15-14(10-23)18(22-21-15)13-4-2-1-3-5-13;1-10(18)17-8-7-13-12(9-17)14(16-15-13)11-5-3-2-4-6-11/h1-8,10H,9,11-13H2,(H,21,22);1-10H,11-14H2,(H,20,21);1-10H,11-13H2,(H,20,21);1-6,8-9H,7,10-12H2,(H,21,22);1-6,8,12H,7,9-11H2,(H,21,22);2-6H,7-9H2,1H3,(H,15,16).

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

5-benzylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;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-pyridin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone has a molecular weight of 1903.22 g/mol, XLogP of 14.32, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;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-pyridin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-2-yloxyethanone;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone is sourced from PubChem (CID 158772953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).