N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C51H60FN11O9S2 — CID 159216673

About N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 159216673) has the molecular formula C51H60FN11O9S2 and a molecular weight of 1054.24 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 159216673
• Molecular Formula: C51H60FN11O9S2
• Molecular Weight: 1054.24 g/mol
• Exact Mass: 1053.40
• IUPAC Name: N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: Cn1nc(C(=O)NCc2ccc(C#N)cc2)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)C=O)CC1)CC2.Cn1nc(C(=O)NCc2ccc(C#N)cc2)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)CN3CC(F)C3)CC1)CC2
• InChI: InChI=1S/C27H33FN6O4S.C24H27N5O5S/c1-26(2,16-33-14-20(28)15-33)39(37,38)27(9-10-27)17-34-11-8-21-22(31-32(3)23(21)25(34)36)24(35)30-13-19-6-4-18(12-29)5-7-19;1-23(2,15-30)35(33,34)24(9-10-24)14-29-11-8-18-19(27-28(3)20(18)22(29)32)21(31)26-13-17-6-4-16(12-25)5-7-17/h4-7,20H,8-11,13-17H2,1-3H3,(H,30,35);4-7,15H,8-11,13-14H2,1-3H3,(H,26,31)
• InChIKey: KRDVDUJVJZMIOT-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 270.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1054.24
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 159216673) is N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(C#N)cc2)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)C=O)CC1)CC2.Cn1nc(C(=O)NCc2ccc(C#N)cc2)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)CN3CC(F)C3)CC1)CC2.

What is the InChIKey of N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is KRDVDUJVJZMIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O4S.C24H27N5O5S/c1-26(2,16-33-14-20(28)15-33)39(37,38)27(9-10-27)17-34-11-8-21-22(31-32(3)23(21)25(34)36)24(35)30-13-19-6-4-18(12-29)5-7-19;1-23(2,15-30)35(33,34)24(9-10-24)14-29-11-8-18-19(27-28(3)20(18)22(29)32)21(31)26-13-17-6-4-16(12-25)5-7-17/h4-7,20H,8-11,13-17H2,1-3H3,(H,30,35);4-7,15H,8-11,13-14H2,1-3H3,(H,26,31).

What are the key properties of N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 1054.24 g/mol, XLogP of 2.74, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 159216673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).