N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C37H32F3N9O6 — CID 176705880

About N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 176705880) has the molecular formula C37H32F3N9O6 and a molecular weight of 755.71 g/mol. Its IUPAC name is N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 176705880
• Molecular Formula: C37H32F3N9O6
• Molecular Weight: 755.71 g/mol
• Exact Mass: 755.24
• IUPAC Name: N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: NC(=O)c1nn(-c2ccc(CN3CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4C3)cc2)cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C37H32F3N9O6/c38-37(39,40)29-3-1-2-26(42-29)33(52)43-27-18-48(45-31(27)32(41)51)22-6-4-19(5-7-22)13-46-14-20-16-47(17-21(20)15-46)23-8-9-24-25(12-23)36(55)49(35(24)54)28-10-11-30(50)44-34(28)53/h1-9,12,18,20-21,28H,10-11,13-17H2,(H2,41,51)(H,43,52)(H,44,50,53)
• InChIKey: ABBWVZODSOEDNQ-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 192.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.71
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 176705880) is N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is NC(=O)c1nn(-c2ccc(CN3CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4C3)cc2)cc1NC(=O)c1cccc(C(F)(F)F)n1.

What is the InChIKey of N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is ABBWVZODSOEDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32F3N9O6/c38-37(39,40)29-3-1-2-26(42-29)33(52)43-27-18-48(45-31(27)32(41)51)22-6-4-19(5-7-22)13-46-14-20-16-47(17-21(20)15-46)23-8-9-24-25(12-23)36(55)49(35(24)54)28-10-11-30(50)44-34(28)53/h1-9,12,18,20-21,28H,10-11,13-17H2,(H2,41,51)(H,43,52)(H,44,50,53).

What are the key properties of N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 755.71 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 176705880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).