N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide

C39H44ClF3N8O5 — CID 164720248

About N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide

N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide (PubChem CID 164720248) has the molecular formula C39H44ClF3N8O5 and a molecular weight of 797.28 g/mol. Its IUPAC name is N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide
• PubChem CID: 164720248
• Molecular Formula: C39H44ClF3N8O5
• Molecular Weight: 797.28 g/mol
• Exact Mass: 796.31
• IUPAC Name: N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1
• InChI: InChI=1S/C39H44ClF3N8O5/c1-48-20-27(26-19-44-47-35(26)38(48)55)23-16-30(40)28(33(17-23)56-3)21-50-12-10-25(11-13-50)49(2)37(54)22-8-14-51(15-9-22)32-6-4-24(18-29(32)39(41,42)43)45-31-5-7-34(52)46-36(31)53/h4,6,16-20,22,25,31,45H,5,7-15,21H2,1-3H3,(H,44,47)(H,46,52,53)
• InChIKey: RYSBVYDZGRXMFF-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 144.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.28
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide?

The IUPAC name of N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide (CID 164720248) is N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.

What is the InChIKey of N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide?

The InChIKey is RYSBVYDZGRXMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44ClF3N8O5/c1-48-20-27(26-19-44-47-35(26)38(48)55)23-16-30(40)28(33(17-23)56-3)21-50-12-10-25(11-13-50)49(2)37(54)22-8-14-51(15-9-22)32-6-4-24(18-29(32)39(41,42)43)45-31-5-7-34(52)46-36(31)53/h4,6,16-20,22,25,31,45H,5,7-15,21H2,1-3H3,(H,44,47)(H,46,52,53).

What are the key properties of N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide?

N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 797.28 g/mol, XLogP of 5.17, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 164720248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).