5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C40H39N7O8 — CID 154672455

IUPAC5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(n2ccc(COc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)CC1
InChIInChI=1S/C40H39N7O8/c1-44-20-31(27-8-12-41-19-30(27)38(44)50)23-16-34(53-2)32(35(17-23)54-3)21-45-13-10-25(11-14-45)46-15-9-24(43-46)22-55-26-4-5-28-29(18-26)40(52)47(39(28)51)33-6-7-36(48)42-37(33)49/h4-5,8-9,12,15-20,25,33H,6-7,10-11,13-14,21-22H2,1-3H3,(H,42,48,49)
InChIKeyOYZJMNFTTVUDPN-UHFFFAOYSA-N
MW745.79 g/mol
LogP3.63
Rot. Bonds10

About 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 154672455) has the molecular formula C40H39N7O8 and a molecular weight of 745.79 g/mol. Its IUPAC name is 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID154672455
Molecular FormulaC40H39N7O8
Molecular Weight745.79 g/mol
Exact Mass745.29
IUPAC Name5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(n2ccc(COc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)CC1
InChIInChI=1S/C40H39N7O8/c1-44-20-31(27-8-12-41-19-30(27)38(44)50)23-16-34(53-2)32(35(17-23)54-3)21-45-13-10-25(11-14-45)46-15-9-24(43-46)22-55-26-4-5-28-29(18-26)40(52)47(39(28)51)33-6-7-36(48)42-37(33)49/h4-5,8-9,12,15-20,25,33H,6-7,10-11,13-14,21-22H2,1-3H3,(H,42,48,49)
InChIKeyOYZJMNFTTVUDPN-UHFFFAOYSA-N
XLogP3.63
TPSA167.19 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 154672455) is 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(n2ccc(COc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)CC1.
What is the InChIKey of 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is OYZJMNFTTVUDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39N7O8/c1-44-20-31(27-8-12-41-19-30(27)38(44)50)23-16-34(53-2)32(35(17-23)54-3)21-45-13-10-25(11-14-45)46-15-9-24(43-46)22-55-26-4-5-28-29(18-26)40(52)47(39(28)51)33-6-7-36(48)42-37(33)49/h4-5,8-9,12,15-20,25,33H,6-7,10-11,13-14,21-22H2,1-3H3,(H,42,48,49).
What are the key properties of 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 745.79 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 154672455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).