N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide

C41H42F2N8O5 — CID 166113754

IUPACN-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC2(CC1)CCN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2)c1ccc2cc(-c3n[nH]c4c3C[C@@H]3C(F)(F)[C@]3(C)C4)[nH]c2c1
InChIInChI=1S/C41H42F2N8O5/c1-39-19-30-27(18-32(39)41(39,42)43)35(47-46-30)29-15-22-3-4-23(17-28(22)44-29)48(2)34(53)20-49-12-9-40(10-13-49)11-14-50(21-40)24-5-6-25-26(16-24)38(56)51(37(25)55)31-7-8-33(52)45-36(31)54/h3-6,15-17,31-32,44H,7-14,18-21H2,1-2H3,(H,46,47)(H,45,52,54)/t31?,32-,39+/m0/s1
InChIKeyGYIOZVNHKAJGSQ-MKSKGARUSA-N
MW764.83 g/mol
LogP4.28
Rot. Bonds6

About N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide

N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide (PubChem CID 166113754) has the molecular formula C41H42F2N8O5 and a molecular weight of 764.83 g/mol. Its IUPAC name is N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide
PubChem CID166113754
Molecular FormulaC41H42F2N8O5
Molecular Weight764.83 g/mol
Exact Mass764.32
IUPAC NameN-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC2(CC1)CCN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2)c1ccc2cc(-c3n[nH]c4c3C[C@@H]3C(F)(F)[C@]3(C)C4)[nH]c2c1
InChIInChI=1S/C41H42F2N8O5/c1-39-19-30-27(18-32(39)41(39,42)43)35(47-46-30)29-15-22-3-4-23(17-28(22)44-29)48(2)34(53)20-49-12-9-40(10-13-49)11-14-50(21-40)24-5-6-25-26(16-24)38(56)51(37(25)55)31-7-8-33(52)45-36(31)54/h3-6,15-17,31-32,44H,7-14,18-21H2,1-2H3,(H,46,47)(H,45,52,54)/t31?,32-,39+/m0/s1
InChIKeyGYIOZVNHKAJGSQ-MKSKGARUSA-N
XLogP4.28
TPSA154.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500764.83
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide?
The IUPAC name of N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide (CID 166113754) is N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide?
The canonical SMILES for N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide is CN(C(=O)CN1CCC2(CC1)CCN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2)c1ccc2cc(-c3n[nH]c4c3C[C@@H]3C(F)(F)[C@]3(C)C4)[nH]c2c1.
What is the InChIKey of N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide?
The InChIKey is GYIOZVNHKAJGSQ-MKSKGARUSA-N. The full InChI is InChI=1S/C41H42F2N8O5/c1-39-19-30-27(18-32(39)41(39,42)43)35(47-46-30)29-15-22-3-4-23(17-28(22)44-29)48(2)34(53)20-49-12-9-40(10-13-49)11-14-50(21-40)24-5-6-25-26(16-24)38(56)51(37(25)55)31-7-8-33(52)45-36(31)54/h3-6,15-17,31-32,44H,7-14,18-21H2,1-2H3,(H,46,47)(H,45,52,54)/t31?,32-,39+/m0/s1.
What are the key properties of N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide?
N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide has a molecular weight of 764.83 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-indol-6-yl]-2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[4.5]decan-8-yl]-N-methylacetamide is sourced from PubChem (CID 166113754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).