4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide

C48H53ClFN9O7 — CID 167206458

IUPAC4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESNc1nccn2c(N3CCC4(CC3)CN(CCOCCOCCOc3ccc5c(c3)CC(CCC3CCC(=O)NC3=O)CC5=O)C4)nc(-c3ccc(C(=O)Nc4cc(Cl)ccn4)cc3F)c12
InChIInChI=1S/C48H53ClFN9O7/c49-34-9-12-52-40(27-34)54-46(63)32-3-6-37(38(50)26-32)42-43-44(51)53-13-16-59(43)47(56-42)58-14-10-48(11-15-58)28-57(29-48)17-18-64-19-20-65-21-22-66-35-5-7-36-33(25-35)23-30(24-39(36)60)1-2-31-4-8-41(61)55-45(31)62/h3,5-7,9,12-13,16,25-27,30-31H,1-2,4,8,10-11,14-15,17-24,28-29H2,(H2,51,53)(H,52,54,63)(H,55,61,62)
InChIKeyOBLJFLLVIJNBJO-UHFFFAOYSA-N
MW922.46 g/mol
LogP6.01
Rot. Bonds17

About 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide

4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide (PubChem CID 167206458) has the molecular formula C48H53ClFN9O7 and a molecular weight of 922.46 g/mol. Its IUPAC name is 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
PubChem CID167206458
Molecular FormulaC48H53ClFN9O7
Molecular Weight922.46 g/mol
Exact Mass921.37
IUPAC Name4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESNc1nccn2c(N3CCC4(CC3)CN(CCOCCOCCOc3ccc5c(c3)CC(CCC3CCC(=O)NC3=O)CC5=O)C4)nc(-c3ccc(C(=O)Nc4cc(Cl)ccn4)cc3F)c12
InChIInChI=1S/C48H53ClFN9O7/c49-34-9-12-52-40(27-34)54-46(63)32-3-6-37(38(50)26-32)42-43-44(51)53-13-16-59(43)47(56-42)58-14-10-48(11-15-58)28-57(29-48)17-18-64-19-20-65-21-22-66-35-5-7-36-33(25-35)23-30(24-39(36)60)1-2-31-4-8-41(61)55-45(31)62/h3,5-7,9,12-13,16,25-27,30-31H,1-2,4,8,10-11,14-15,17-24,28-29H2,(H2,51,53)(H,52,54,63)(H,55,61,62)
InChIKeyOBLJFLLVIJNBJO-UHFFFAOYSA-N
XLogP6.01
TPSA195.61 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500922.46
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide (CID 167206458) is 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide is Nc1nccn2c(N3CCC4(CC3)CN(CCOCCOCCOc3ccc5c(c3)CC(CCC3CCC(=O)NC3=O)CC5=O)C4)nc(-c3ccc(C(=O)Nc4cc(Cl)ccn4)cc3F)c12.
What is the InChIKey of 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is OBLJFLLVIJNBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H53ClFN9O7/c49-34-9-12-52-40(27-34)54-46(63)32-3-6-37(38(50)26-32)42-43-44(51)53-13-16-59(43)47(56-42)58-14-10-48(11-15-58)28-57(29-48)17-18-64-19-20-65-21-22-66-35-5-7-36-33(25-35)23-30(24-39(36)60)1-2-31-4-8-41(61)55-45(31)62/h3,5-7,9,12-13,16,25-27,30-31H,1-2,4,8,10-11,14-15,17-24,28-29H2,(H2,51,53)(H,52,54,63)(H,55,61,62).
What are the key properties of 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide?
4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide has a molecular weight of 922.46 g/mol, XLogP of 6.01, 17 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[2-[2-[2-[2-[[7-[2-(2,6-dioxopiperidin-3-yl)ethyl]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethoxy]ethoxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 167206458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).