4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one

C44H57N5O7 — CID 155037144

IUPAC4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1CN1CCC2(CC1)CN(C(=O)CCCCOc1ccc(C)c(C(=O)C(C)C)c1)CCO2
InChIInChI=1S/C44H57N5O7/c1-29(2)42(51)33-23-32(13-12-30(33)3)55-19-10-9-11-41(50)49-18-20-56-44(28-49)14-16-48(17-15-44)27-37-38(53-7)21-31(22-39(37)54-8)36-26-47(6)43(52)35-25-45-40(46(4)5)24-34(35)36/h12-13,21-26,29H,9-11,14-20,27-28H2,1-8H3
InChIKeyUEUHHIJWJYYAFX-UHFFFAOYSA-N
MW767.97 g/mol
LogP6.27
Rot. Bonds14

About 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one

4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one (PubChem CID 155037144) has the molecular formula C44H57N5O7 and a molecular weight of 767.97 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one
PubChem CID155037144
Molecular FormulaC44H57N5O7
Molecular Weight767.97 g/mol
Exact Mass767.43
IUPAC Name4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1CN1CCC2(CC1)CN(C(=O)CCCCOc1ccc(C)c(C(=O)C(C)C)c1)CCO2
InChIInChI=1S/C44H57N5O7/c1-29(2)42(51)33-23-32(13-12-30(33)3)55-19-10-9-11-41(50)49-18-20-56-44(28-49)14-16-48(17-15-44)27-37-38(53-7)21-31(22-39(37)54-8)36-26-47(6)43(52)35-25-45-40(46(4)5)24-34(35)36/h12-13,21-26,29H,9-11,14-20,27-28H2,1-8H3
InChIKeyUEUHHIJWJYYAFX-UHFFFAOYSA-N
XLogP6.27
TPSA115.67 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one with MolForge

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Related Compounds

5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 154671721
5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid
CID 155026478
4-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]benzaldehyde
CID 166960483
5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167395284
5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164844215
1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3-methylazetidine-3-carboxylic acid
CID 154672640
5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidin-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162777516
tert-butyl 9-[[2,6-dimethoxy-4-[2-methyl-7-(methylcarbamoyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridin-4-yl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 154671677
3-[5-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidine-1-carboxylic acid
CID 155026896
5-[4-[2-[4-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167395431
4-[4-[(4-iodopiperazin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 167116914
4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672442

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one (CID 155037144) is 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one is COc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1CN1CCC2(CC1)CN(C(=O)CCCCOc1ccc(C)c(C(=O)C(C)C)c1)CCO2.
What is the InChIKey of 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is UEUHHIJWJYYAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H57N5O7/c1-29(2)42(51)33-23-32(13-12-30(33)3)55-19-10-9-11-41(50)49-18-20-56-44(28-49)14-16-48(17-15-44)27-37-38(53-7)21-31(22-39(37)54-8)36-26-47(6)43(52)35-25-45-40(46(4)5)24-34(35)36/h12-13,21-26,29H,9-11,14-20,27-28H2,1-8H3.
What are the key properties of 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one?
4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 767.97 g/mol, XLogP of 6.27, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethoxy-4-[[4-[5-[4-methyl-3-(2-methylpropanoyl)phenoxy]pentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-6-(dimethylamino)-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 155037144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).