methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate

C20H20N6O3 — CID 146316904

IUPACmethyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C[C@H]2CN(c3cnc(C#N)c4ncccc34)C[C@@H](C)O2)c1
InChIInChI=1S/C20H20N6O3/c1-13-9-25(18-8-23-17(6-21)19-16(18)4-3-5-22-19)11-15(29-13)12-26-10-14(7-24-26)20(27)28-2/h3-5,7-8,10,13,15H,9,11-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyILYVMNRRZDCABS-UKRRQHHQSA-N
MW392.42 g/mol
LogP1.78
Rot. Bonds4

About methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate

methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate (PubChem CID 146316904) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate
PubChem CID146316904
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Namemethyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C[C@H]2CN(c3cnc(C#N)c4ncccc34)C[C@@H](C)O2)c1
InChIInChI=1S/C20H20N6O3/c1-13-9-25(18-8-23-17(6-21)19-16(18)4-3-5-22-19)11-15(29-13)12-26-10-14(7-24-26)20(27)28-2/h3-5,7-8,10,13,15H,9,11-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyILYVMNRRZDCABS-UKRRQHHQSA-N
XLogP1.78
TPSA106.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile
CID 153398906
(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
(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-[(2S,6R)-2-[(4-acetylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007242
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide
CID 146329183
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[(2R,6R)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006463
N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide
CID 118007226

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate (CID 146316904) is methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate is COC(=O)c1cnn(C[C@H]2CN(c3cnc(C#N)c4ncccc34)C[C@@H](C)O2)c1.
What is the InChIKey of methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is ILYVMNRRZDCABS-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-13-9-25(18-8-23-17(6-21)19-16(18)4-3-5-22-19)11-15(29-13)12-26-10-14(7-24-26)20(27)28-2/h3-5,7-8,10,13,15H,9,11-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate?
methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 392.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 146316904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).