methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal

C74H106ClFN4O9 — CID 171792907

IUPACmethoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal
SMILESC=C1CCC(N2Cc3c(OCC(=O)N(CCC)CCC)cccc3C2=C)C(=O)N1.CCC(C)CCOC.CCC=O.CCCC(C)CC.COCOC(=O)/C(C)=C(\CCCOc1cccc2cc(F)ccc12)c1ccc(Cl)c(C2=C(C)N(C)CC=C2C)c1C
InChIInChI=1S/C34H37ClFNO4.C23H31N3O3.C7H16O.C7H16.C3H6O/c1-21-16-17-37(5)24(4)32(21)33-22(2)28(14-15-30(33)35)27(23(3)34(38)41-20-39-6)10-8-18-40-31-11-7-9-25-19-26(36)12-13-29(25)31;1-5-12-25(13-6-2)22(27)15-29-21-9-7-8-18-17(4)26(14-19(18)21)20-11-10-16(3)24-23(20)28;1-4-7(2)5-6-8-3;1-4-6-7(3)5-2;1-2-3-4/h7,9,11-16,19H,8,10,17-18,20H2,1-6H3;7-9,20H,3-6,10-15H2,1-2H3,(H,24,28);7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;3H,2H2,1H3/b27-23+;;;;
InChIKeyWFGFYXZZOFAJKA-DSXVRLLPSA-N
MW1250.13 g/mol
LogP17.13
Rot. Bonds26

About methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal

methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal (PubChem CID 171792907) has the molecular formula C74H106ClFN4O9 and a molecular weight of 1250.13 g/mol. Its IUPAC name is methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal.

Molecular Properties

Compound Namemethoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal
PubChem CID171792907
Molecular FormulaC74H106ClFN4O9
Molecular Weight1250.13 g/mol
Exact Mass1248.76
IUPAC Namemethoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal
SMILESC=C1CCC(N2Cc3c(OCC(=O)N(CCC)CCC)cccc3C2=C)C(=O)N1.CCC(C)CCOC.CCC=O.CCCC(C)CC.COCOC(=O)/C(C)=C(\CCCOc1cccc2cc(F)ccc12)c1ccc(Cl)c(C2=C(C)N(C)CC=C2C)c1C
InChIInChI=1S/C34H37ClFNO4.C23H31N3O3.C7H16O.C7H16.C3H6O/c1-21-16-17-37(5)24(4)32(21)33-22(2)28(14-15-30(33)35)27(23(3)34(38)41-20-39-6)10-8-18-40-31-11-7-9-25-19-26(36)12-13-29(25)31;1-5-12-25(13-6-2)22(27)15-29-21-9-7-8-18-17(4)26(14-19(18)21)20-11-10-16(3)24-23(20)28;1-4-7(2)5-6-8-3;1-4-6-7(3)5-2;1-2-3-4/h7,9,11-16,19H,8,10,17-18,20H2,1-6H3;7-9,20H,3-6,10-15H2,1-2H3,(H,24,28);7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;3H,2H2,1H3/b27-23+;;;;
InChIKeyWFGFYXZZOFAJKA-DSXVRLLPSA-N
XLogP17.13
TPSA136.18 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001250.13
LogP ≤ 517.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal with MolForge

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Related Compounds

butyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate
CID 174289789
butane;2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;ethane;3-methyloctane;propane;propyl 6-chloro-7-[(4Z)-2,4-dimethylhepta-2,4-dien-3-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1-(3-methylpentyl)indole-2-carboxylate
CID 171788941
CID 171788635
CID 171788635
N-[2-butan-2-yl-6-(2-oxoethoxy)phenyl]-N-methylformamide;6-chloro-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1-(3-methylpentyl)-7-(1,4,6-trimethyl-2H-pyridin-5-yl)indole-2-carboxylic acid;ethane;5-methyloctane-2,6-dione;N-methyl-N-propylpropan-1-amine
CID 171788771
(E)-3-[4-chloro-2-methyl-3-[(3E)-2-methyl-4-(methylamino)penta-1,3-dien-3-yl]phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-ene-1,1-diol;4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;1-(4-propylpiperazin-1-yl)pentan-1-one
CID 171792863
6-chloro-1-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetyl]-methylamino]ethyl-methylamino]ethyl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-7-(1,3,5-trimethylpyrazol-4-yl)indole-2-carboxylic acid
CID 166151646
(E)-3-[4-chloro-3-(2-ethyl-6,7,8,9-tetrahydro-4H-quinolizin-1-yl)-2-methylphenyl]-2-ethyl-6-(6-fluoronaphthalen-1-yl)oxyhex-2-enoic acid;2-methylpentane;N-propylpropan-1-amine
CID 171788705
tert-butyl (E)-3-[4-chloro-2-methyl-3-[(3Z,5E)-4,6,7-trimethylnona-3,5-dien-5-yl]phenyl]-2-ethyl-6-(6-fluoronaphthalen-1-yl)oxyhex-2-enoate;ethane;1-methoxypropane;3-methylhexane;propylcyclopropane;N-propylpropan-1-amine
CID 171788580
6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one
CID 171792875
6-chloro-1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]ethoxy]propyl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-7-(1,3,5-trimethylpyrazol-4-yl)indole-2-carboxylic acid
CID 166151985
3-(4-methylpiperazin-1-yl)propyl 6-chloro-1-[2-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetyl]piperazin-1-yl]ethyl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-7-(1,3,5-trimethylpyrazol-4-yl)indole-2-carboxylate
CID 171789099
N-[3-[6-chloro-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]propyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide
CID 166152253

Frequently Asked Questions

What is the IUPAC name of methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal?
The IUPAC name of methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal (CID 171792907) is methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal.
What is the SMILES notation for methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal?
The canonical SMILES for methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal is C=C1CCC(N2Cc3c(OCC(=O)N(CCC)CCC)cccc3C2=C)C(=O)N1.CCC(C)CCOC.CCC=O.CCCC(C)CC.COCOC(=O)/C(C)=C(\CCCOc1cccc2cc(F)ccc12)c1ccc(Cl)c(C2=C(C)N(C)CC=C2C)c1C.
What is the InChIKey of methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal?
The InChIKey is WFGFYXZZOFAJKA-DSXVRLLPSA-N. The full InChI is InChI=1S/C34H37ClFNO4.C23H31N3O3.C7H16O.C7H16.C3H6O/c1-21-16-17-37(5)24(4)32(21)33-22(2)28(14-15-30(33)35)27(23(3)34(38)41-20-39-6)10-8-18-40-31-11-7-9-25-19-26(36)12-13-29(25)31;1-5-12-25(13-6-2)22(27)15-29-21-9-7-8-18-17(4)26(14-19(18)21)20-11-10-16(3)24-23(20)28;1-4-7(2)5-6-8-3;1-4-6-7(3)5-2;1-2-3-4/h7,9,11-16,19H,8,10,17-18,20H2,1-6H3;7-9,20H,3-6,10-15H2,1-2H3,(H,24,28);7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;3H,2H2,1H3/b27-23+;;;;.
What are the key properties of methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal?
methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal has a molecular weight of 1250.13 g/mol, XLogP of 17.13, 26 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl (E)-3-[4-chloro-2-methyl-3-(1,4,6-trimethyl-2H-pyridin-5-yl)phenyl]-6-(6-fluoronaphthalen-1-yl)oxy-2-methylhex-2-enoate;1-methoxy-3-methylpentane;3-methylhexane;2-[[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-4-yl]oxy]-N,N-dipropylacetamide;propanal is sourced from PubChem (CID 171792907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).