5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile

C22H22N4O2S — CID 153398906

IUPAC5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile
SMILESCc1ccc(SOCC2CN(c3cnc(C#N)c4ncccc34)CC(C)O2)cc1
InChIInChI=1S/C22H22N4O2S/c1-15-5-7-18(8-6-15)29-27-14-17-13-26(12-16(2)28-17)21-11-25-20(10-23)22-19(21)4-3-9-24-22/h3-9,11,16-17H,12-14H2,1-2H3
InChIKeyVPDORKZYBNMNLU-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.13
Rot. Bonds5

About 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile

5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile (PubChem CID 153398906) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile
PubChem CID153398906
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile
SMILESCc1ccc(SOCC2CN(c3cnc(C#N)c4ncccc34)CC(C)O2)cc1
InChIInChI=1S/C22H22N4O2S/c1-15-5-7-18(8-6-15)29-27-14-17-13-26(12-16(2)28-17)21-11-25-20(10-23)22-19(21)4-3-9-24-22/h3-9,11,16-17H,12-14H2,1-2H3
InChIKeyVPDORKZYBNMNLU-UHFFFAOYSA-N
XLogP4.13
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate
CID 146316904
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
(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-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006692
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
5-[(2R,6R)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006463
(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide
CID 146329183
5-[(2R,6S)-2-methyl-6-[[(3R)-3-methylpyrrolidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007164
5-[(2R,6S)-2-methyl-6-(piperazin-1-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118007081

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile?
The IUPAC name of 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile (CID 153398906) is 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile.
What is the SMILES notation for 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile?
The canonical SMILES for 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile is Cc1ccc(SOCC2CN(c3cnc(C#N)c4ncccc34)CC(C)O2)cc1.
What is the InChIKey of 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile?
The InChIKey is VPDORKZYBNMNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-15-5-7-18(8-6-15)29-27-14-17-13-26(12-16(2)28-17)21-11-25-20(10-23)22-19(21)4-3-9-24-22/h3-9,11,16-17H,12-14H2,1-2H3.
What are the key properties of 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile?
5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile has a molecular weight of 406.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile is sourced from PubChem (CID 153398906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).