N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

C36H33ClF2N8O6 — CID 168871671

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 168871671) has the molecular formula C36H33ClF2N8O6 and a molecular weight of 747.16 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
• PubChem CID: 168871671
• Molecular Formula: C36H33ClF2N8O6
• Molecular Weight: 747.16 g/mol
• Exact Mass: 746.22
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
• SMILES: CN(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)CC1
• InChI: InChI=1S/C36H33ClF2N8O6/c1-45(19-20-2-7-25-26(16-20)35(52)47(34(25)51)29-8-9-30(48)43-33(29)50)23-11-14-46(15-12-23)31-27(28-10-13-41-44-28)17-21(18-40-31)32(49)42-22-3-5-24(6-4-22)53-36(37,38)39/h2-7,10,13,16-18,23,29H,8-9,11-12,14-15,19H2,1H3,(H,41,44)(H,42,49)(H,43,48,50)
• InChIKey: RALTURTUBRHSFA-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 169.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	747.16
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 168871671) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is CN(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)CC1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?

The InChIKey is RALTURTUBRHSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33ClF2N8O6/c1-45(19-20-2-7-25-26(16-20)35(52)47(34(25)51)29-8-9-30(48)43-33(29)50)23-11-14-46(15-12-23)31-27(28-10-13-41-44-28)17-21(18-40-31)32(49)42-22-3-5-24(6-4-22)53-36(37,38)39/h2-7,10,13,16-18,23,29H,8-9,11-12,14-15,19H2,1H3,(H,41,44)(H,42,49)(H,43,48,50).

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 747.16 g/mol, XLogP of 4.39, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 168871671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).