N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

C41H40ClF2N9O6 — CID 156786128

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 156786128) has the molecular formula C41H40ClF2N9O6 and a molecular weight of 828.28 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
• PubChem CID: 156786128
• Molecular Formula: C41H40ClF2N9O6
• Molecular Weight: 828.28 g/mol
• Exact Mass: 827.28
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CCC5(CC4)CC(N4CCN(c6ncc(C(=O)Nc7ccc(OC(F)(F)Cl)cc7)cc6-c6ccn[nH]6)CC4)C5)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C41H40ClF2N9O6/c42-41(43,44)59-28-4-1-25(2-5-28)47-36(55)24-19-31(32-9-12-46-49-32)35(45-23-24)52-17-15-51(16-18-52)27-21-40(22-27)10-13-50(14-11-40)26-3-6-29-30(20-26)39(58)53(38(29)57)33-7-8-34(54)48-37(33)56/h1-6,9,12,19-20,23,27,33H,7-8,10-11,13-18,21-22H2,(H,46,49)(H,47,55)(H,48,54,56)
• InChIKey: GYJLUYWDZNSIPA-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 173.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.28
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 156786128) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is O=C1CCC(N2C(=O)c3ccc(N4CCC5(CC4)CC(N4CCN(c6ncc(C(=O)Nc7ccc(OC(F)(F)Cl)cc7)cc6-c6ccn[nH]6)CC4)C5)cc3C2=O)C(=O)N1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?

The InChIKey is GYJLUYWDZNSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40ClF2N9O6/c42-41(43,44)59-28-4-1-25(2-5-28)47-36(55)24-19-31(32-9-12-46-49-32)35(45-23-24)52-17-15-51(16-18-52)27-21-40(22-27)10-13-50(14-11-40)26-3-6-29-30(20-26)39(58)53(38(29)57)33-7-8-34(54)48-37(33)56/h1-6,9,12,19-20,23,27,33H,7-8,10-11,13-18,21-22H2,(H,46,49)(H,47,55)(H,48,54,56).

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 828.28 g/mol, XLogP of 4.86, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 156786128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).