(3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione

C30H23N5O6S — CID 166788284

IUPAC(3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione
SMILESCc1nc2c(-c3c4cn(C)nc4cc4c([C@@H]5CCC(=O)NC5=O)coc34)c3occ([C@@H]4CCC(=O)NC4=O)c3cc2s1
InChIInChI=1S/C30H23N5O6S/c1-12-31-26-21(42-12)8-16-19(14-4-6-23(37)33-30(14)39)11-41-28(16)25(26)24-17-9-35(2)34-20(17)7-15-18(10-40-27(15)24)13-3-5-22(36)32-29(13)38/h7-11,13-14H,3-6H2,1-2H3,(H,32,36,38)(H,33,37,39)/t13-,14-/m0/s1
InChIKeyRAARFACJJYPVCU-KBPBESRZSA-N
MW581.61 g/mol
LogP4.69
Rot. Bonds3

About (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione

(3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione (PubChem CID 166788284) has the molecular formula C30H23N5O6S and a molecular weight of 581.61 g/mol. Its IUPAC name is (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione
PubChem CID166788284
Molecular FormulaC30H23N5O6S
Molecular Weight581.61 g/mol
Exact Mass581.14
IUPAC Name(3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione
SMILESCc1nc2c(-c3c4cn(C)nc4cc4c([C@@H]5CCC(=O)NC5=O)coc34)c3occ([C@@H]4CCC(=O)NC4=O)c3cc2s1
InChIInChI=1S/C30H23N5O6S/c1-12-31-26-21(42-12)8-16-19(14-4-6-23(37)33-30(14)39)11-41-28(16)25(26)24-17-9-35(2)34-20(17)7-15-18(10-40-27(15)24)13-3-5-22(36)32-29(13)38/h7-11,13-14H,3-6H2,1-2H3,(H,32,36,38)(H,33,37,39)/t13-,14-/m0/s1
InChIKeyRAARFACJJYPVCU-KBPBESRZSA-N
XLogP4.69
TPSA149.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.61
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione (CID 166788284) is (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione is Cc1nc2c(-c3c4cn(C)nc4cc4c([C@@H]5CCC(=O)NC5=O)coc34)c3occ([C@@H]4CCC(=O)NC4=O)c3cc2s1.
What is the InChIKey of (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione?
The InChIKey is RAARFACJJYPVCU-KBPBESRZSA-N. The full InChI is InChI=1S/C30H23N5O6S/c1-12-31-26-21(42-12)8-16-19(14-4-6-23(37)33-30(14)39)11-41-28(16)25(26)24-17-9-35(2)34-20(17)7-15-18(10-40-27(15)24)13-3-5-22(36)32-29(13)38/h7-11,13-14H,3-6H2,1-2H3,(H,32,36,38)(H,33,37,39)/t13-,14-/m0/s1.
What are the key properties of (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione?
(3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione has a molecular weight of 581.61 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[7-[(3S)-2,6-dioxopiperidin-3-yl]-2-methylfuro[2,3-f]indazol-4-yl]-2-methylfuro[2,3-f][1,3]benzothiazol-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 166788284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).