N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide

C80H76Cl2F2N20O9 — CID 167206539

About N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide

N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide (PubChem CID 167206539) has the molecular formula C80H76Cl2F2N20O9 and a molecular weight of 1570.52 g/mol. Its IUPAC name is N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide.

Molecular Properties

• Compound Name: N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide
• PubChem CID: 167206539
• Molecular Formula: C80H76Cl2F2N20O9
• Molecular Weight: 1570.52 g/mol
• Exact Mass: 1568.54
• IUPAC Name: N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide
• SMILES: CNC(=O)CCC(C=O)N1Cc2cc(CN3CC4(CCN(c5nc(-c6ccc(C(=O)Nc7cc(Cl)cc(-c8cn9c(N%10CCC%11(CC%10)CN(CCOc%10ccc%12c(c%10)CN(C%10CCC(=O)NC%10=O)C%12=O)C%11)nc(-c%10ccc(C(=O)Nc%11cc(Cl)ccn%11)cc%10F)c9c(N)n8)n7)cc6F)c6c(N)nccn56)CC4)C3)ccc2C1=O
• InChI: InChI=1S/C80H76Cl2F2N20O9/c1-87-64(106)12-5-51(39-105)102-36-47-28-44(2-7-53(47)75(102)111)35-98-42-80(43-98)17-21-99(22-18-80)77-95-66(68-70(85)89-20-25-101(68)77)55-8-4-46(31-57(55)83)73(109)93-63-34-50(82)32-59(90-63)60-38-104-69(71(86)91-60)67(56-9-3-45(30-58(56)84)72(108)92-62-33-49(81)14-19-88-62)96-78(104)100-23-15-79(16-24-100)40-97(41-79)26-27-113-52-6-10-54-48(29-52)37-103(76(54)112)61-11-13-65(107)94-74(61)110/h2-4,6-10,14,19-20,25,28-34,38-39,51,61H,5,11-13,15-18,21-24,26-27,35-37,40-43H2,1H3,(H2,85,89)(H2,86,91)(H,87,106)(H,88,92,108)(H,90,93,109)(H,94,107,110)
• InChIKey: AHVLTMAPNPLKHA-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 351.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1570.52
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide?

The IUPAC name of N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide (CID 167206539) is N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide.

What is the SMILES notation for N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide?

The canonical SMILES for N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide is CNC(=O)CCC(C=O)N1Cc2cc(CN3CC4(CCN(c5nc(-c6ccc(C(=O)Nc7cc(Cl)cc(-c8cn9c(N%10CCC%11(CC%10)CN(CCOc%10ccc%12c(c%10)CN(C%10CCC(=O)NC%10=O)C%12=O)C%11)nc(-c%10ccc(C(=O)Nc%11cc(Cl)ccn%11)cc%10F)c9c(N)n8)n7)cc6F)c6c(N)nccn56)CC4)C3)ccc2C1=O.

What is the InChIKey of N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide?

The InChIKey is AHVLTMAPNPLKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H76Cl2F2N20O9/c1-87-64(106)12-5-51(39-105)102-36-47-28-44(2-7-53(47)75(102)111)35-98-42-80(43-98)17-21-99(22-18-80)77-95-66(68-70(85)89-20-25-101(68)77)55-8-4-46(31-57(55)83)73(109)93-63-34-50(82)32-59(90-63)60-38-104-69(71(86)91-60)67(56-9-3-45(30-58(56)84)72(108)92-62-33-49(81)14-19-88-62)96-78(104)100-23-15-79(16-24-100)40-97(41-79)26-27-113-52-6-10-54-48(29-52)37-103(76(54)112)61-11-13-65(107)94-74(61)110/h2-4,6-10,14,19-20,25,28-34,38-39,51,61H,5,11-13,15-18,21-24,26-27,35-37,40-43H2,1H3,(H2,85,89)(H2,86,91)(H,87,106)(H,88,92,108)(H,90,93,109)(H,94,107,110).

What are the key properties of N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide?

N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide has a molecular weight of 1570.52 g/mol, XLogP of 8.71, 21 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 167206539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).