(2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine)

C105H141F15IN25O10 — CID 158580295

IUPAC(2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine)
SMILESCN1CCOC(CN)C1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CI)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1
InChIInChI=1S/4C21H28F3N5O2.C15H15F3IN3O.C6H14N2O/c4*1-14-11-29(13-16(31-14)9-25-8-15-12-28(2)6-7-30-15)18-10-27-20(21(22,23)24)19-17(18)4-3-5-26-19;1-9-7-22(8-10(5-19)23-9)12-6-21-14(15(16,17)18)13-11(12)3-2-4-20-13;1-8-2-3-9-6(4-7)5-8/h4*3-5,10,14-16,25H,6-9,11-13H2,1-2H3;2-4,6,9-10H,5,7-8H2,1H3;6H,2-5,7H2,1H3/t4*14-,15?,16+;9-,10+;/m11111./s1
InChIKeyHTEDBNYGWXWCNE-JRDTZWNGSA-N
MW2325.32 g/mol
LogP11.60
Rot. Bonds23

About (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine)

(2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine) (PubChem CID 158580295) has the molecular formula C105H141F15IN25O10 and a molecular weight of 2325.32 g/mol. Its IUPAC name is (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine).

Molecular Properties

Compound Name(2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine)
PubChem CID158580295
Molecular FormulaC105H141F15IN25O10
Molecular Weight2325.32 g/mol
Exact Mass2324.01
IUPAC Name(2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine)
SMILESCN1CCOC(CN)C1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CI)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1
InChIInChI=1S/4C21H28F3N5O2.C15H15F3IN3O.C6H14N2O/c4*1-14-11-29(13-16(31-14)9-25-8-15-12-28(2)6-7-30-15)18-10-27-20(21(22,23)24)19-17(18)4-3-5-26-19;1-9-7-22(8-10(5-19)23-9)12-6-21-14(15(16,17)18)13-11(12)3-2-4-20-13;1-8-2-3-9-6(4-7)5-8/h4*3-5,10,14-16,25H,6-9,11-13H2,1-2H3;2-4,6,9-10H,5,7-8H2,1H3;6H,2-5,7H2,1H3/t4*14-,15?,16+;9-,10+;/m11111./s1
InChIKeyHTEDBNYGWXWCNE-JRDTZWNGSA-N
XLogP11.60
TPSA327.74 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.32
LogP ≤ 511.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine) with MolForge

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Related Compounds

N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine
CID 153398968
N-[[6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 146329598
(3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide
CID 146329602
N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide
CID 162468277
5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006692
4-[[[(3S,5R)-5-methyl-1-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]piperidin-3-yl]amino]methyl]oxan-4-ol
CID 176719422
[4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine
CID 114399511
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
(3S)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide;molecular hydrogen
CID 153398957
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2R,6R)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006463

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine)?
The IUPAC name of (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine) (CID 158580295) is (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine).
What is the SMILES notation for (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine)?
The canonical SMILES for (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine) is CN1CCOC(CN)C1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CI)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.C[C@@H]1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNCC2CN(C)CCO2)O1.
What is the InChIKey of (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine)?
The InChIKey is HTEDBNYGWXWCNE-JRDTZWNGSA-N. The full InChI is InChI=1S/4C21H28F3N5O2.C15H15F3IN3O.C6H14N2O/c4*1-14-11-29(13-16(31-14)9-25-8-15-12-28(2)6-7-30-15)18-10-27-20(21(22,23)24)19-17(18)4-3-5-26-19;1-9-7-22(8-10(5-19)23-9)12-6-21-14(15(16,17)18)13-11(12)3-2-4-20-13;1-8-2-3-9-6(4-7)5-8/h4*3-5,10,14-16,25H,6-9,11-13H2,1-2H3;2-4,6,9-10H,5,7-8H2,1H3;6H,2-5,7H2,1H3/t4*14-,15?,16+;9-,10+;/m11111./s1.
What are the key properties of (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine)?
(2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine) has a molecular weight of 2325.32 g/mol, XLogP of 11.60, 23 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-(iodomethyl)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholine;(4-methylmorpholin-2-yl)methanamine;tetrakis(1-(4-methylmorpholin-2-yl)-N-[[(2S,6R)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]methanamine) is sourced from PubChem (CID 158580295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).