5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C43H51FN8O7 — CID 154671834

IUPAC5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCNC(=O)N1CCc2c(-c3cc(F)c(CN4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c(OC)c3)cn(C)c(=O)c2C1
InChIInChI=1S/C43H51FN8O7/c1-45-43(58)51-15-11-29-32(23-47(2)40(55)33(29)25-51)27-20-35(44)34(37(21-27)59-3)24-49-13-9-26(10-14-49)8-12-48-16-18-50(19-17-48)28-4-5-30-31(22-28)42(57)52(41(30)56)36-6-7-38(53)46-39(36)54/h4-5,20-23,26,36H,6-19,24-25H2,1-3H3,(H,45,58)(H,46,53,54)
InChIKeyHYZBMVUOOWMEDO-UHFFFAOYSA-N
MW810.93 g/mol
LogP2.72
Rot. Bonds9

About 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 154671834) has the molecular formula C43H51FN8O7 and a molecular weight of 810.93 g/mol. Its IUPAC name is 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
PubChem CID154671834
Molecular FormulaC43H51FN8O7
Molecular Weight810.93 g/mol
Exact Mass810.39
IUPAC Name5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCNC(=O)N1CCc2c(-c3cc(F)c(CN4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c(OC)c3)cn(C)c(=O)c2C1
InChIInChI=1S/C43H51FN8O7/c1-45-43(58)51-15-11-29-32(23-47(2)40(55)33(29)25-51)27-20-35(44)34(37(21-27)59-3)24-49-13-9-26(10-14-49)8-12-48-16-18-50(19-17-48)28-4-5-30-31(22-28)42(57)52(41(30)56)36-6-7-38(53)46-39(36)54/h4-5,20-23,26,36H,6-19,24-25H2,1-3H3,(H,45,58)(H,46,53,54)
InChIKeyHYZBMVUOOWMEDO-UHFFFAOYSA-N
XLogP2.72
TPSA156.84 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.93
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The IUPAC name of 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 154671834) is 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is CNC(=O)N1CCc2c(-c3cc(F)c(CN4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c(OC)c3)cn(C)c(=O)c2C1.
What is the InChIKey of 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The InChIKey is HYZBMVUOOWMEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H51FN8O7/c1-45-43(58)51-15-11-29-32(23-47(2)40(55)33(29)25-51)27-20-35(44)34(37(21-27)59-3)24-49-13-9-26(10-14-49)8-12-48-16-18-50(19-17-48)28-4-5-30-31(22-28)42(57)52(41(30)56)36-6-7-38(53)46-39(36)54/h4-5,20-23,26,36H,6-19,24-25H2,1-3H3,(H,45,58)(H,46,53,54).
What are the key properties of 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 810.93 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]-3-fluoro-5-methoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 154671834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).