6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

C86H106ClN19O21S5 — CID 172942022

About 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 172942022) has the molecular formula C86H106ClN19O21S5 and a molecular weight of 1937.69 g/mol. Its IUPAC name is 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
• PubChem CID: 172942022
• Molecular Formula: C86H106ClN19O21S5
• Molecular Weight: 1937.69 g/mol
• Exact Mass: 1935.61
• IUPAC Name: 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(C)c2c1CCN(CC1(S(=O)(=O)C3CC3)CC1)C2=O.Cn1nc(/C(Cl)=N/O)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2.Cn1nc(/C=N/O)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2.Cn1nc(C2=NOC(c3ccc(C#N)cc3)C2)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2.Cn1nc(C=O)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2
• InChI: InChI=1S/C24H25N5O4S.C17H23N3O5S.C15H19ClN4O4S.C15H20N4O4S.C15H19N3O4S/c1-28-22-18(8-11-29(23(22)30)14-24(9-10-24)34(31,32)17-6-7-17)21(26-28)19-12-20(33-27-19)16-4-2-15(13-25)3-5-16;1-3-25-16(22)13-12-6-9-20(15(21)14(12)19(2)18-13)10-17(7-8-17)26(23,24)11-4-5-11;1-19-12-10(11(17-19)13(16)18-22)4-7-20(14(12)21)8-15(5-6-15)25(23,24)9-2-3-9;1-18-13-11(12(17-18)8-16-21)4-7-19(14(13)20)9-15(5-6-15)24(22,23)10-2-3-10;1-17-13-11(12(8-19)16-17)4-7-18(14(13)20)9-15(5-6-15)23(21,22)10-2-3-10/h2-5,17,20H,6-12,14H2,1H3;11H,3-10H2,1-2H3;9,22H,2-8H2,1H3;8,10,21H,2-7,9H2,1H3;8,10H,2-7,9H2,1H3/b;;18-13-;16-8+
• InChIKey: CWBPPRWAEMYPSY-BSLJKGQPSA-N
• XLogP: 4.55
• TPSA: 515.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1937.69
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

The IUPAC name of 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 172942022) is 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

What is the SMILES notation for 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

The canonical SMILES for 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C)c2c1CCN(CC1(S(=O)(=O)C3CC3)CC1)C2=O.Cn1nc(/C(Cl)=N/O)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2.Cn1nc(/C=N/O)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2.Cn1nc(C2=NOC(c3ccc(C#N)cc3)C2)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2.Cn1nc(C=O)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2.

What is the InChIKey of 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

The InChIKey is CWBPPRWAEMYPSY-BSLJKGQPSA-N. The full InChI is InChI=1S/C24H25N5O4S.C17H23N3O5S.C15H19ClN4O4S.C15H20N4O4S.C15H19N3O4S/c1-28-22-18(8-11-29(23(22)30)14-24(9-10-24)34(31,32)17-6-7-17)21(26-28)19-12-20(33-27-19)16-4-2-15(13-25)3-5-16;1-3-25-16(22)13-12-6-9-20(15(21)14(12)19(2)18-13)10-17(7-8-17)26(23,24)11-4-5-11;1-19-12-10(11(17-19)13(16)18-22)4-7-20(14(12)21)8-15(5-6-15)25(23,24)9-2-3-9;1-18-13-11(12(17-18)8-16-21)4-7-19(14(13)20)9-15(5-6-15)24(22,23)10-2-3-10;1-17-13-11(12(8-19)16-17)4-7-18(14(13)20)9-15(5-6-15)23(21,22)10-2-3-10/h2-5,17,20H,6-12,14H2,1H3;11H,3-10H2,1-2H3;9,22H,2-8H2,1H3;8,10,21H,2-7,9H2,1H3;8,10H,2-7,9H2,1H3/b;;18-13-;16-8+;.

What are the key properties of 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 1937.69 g/mol, XLogP of 4.55, 27 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-[(E)-hydroxyiminomethyl]-1-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(3Z)-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-N-hydroxy-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboximidoyl chloride;6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde;4-[3-[6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]benzonitrile;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 172942022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).