3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C44H51N7O4S2 — CID 144742605

IUPAC3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(SCCc3ccccc3)nc(N3CCOCC3)c2CO1.CC1(C)Cc2c(C#N)c(SCc3ccccn3)nc(N3CCOCC3)c2CO1
InChIInChI=1S/C23H27N3O2S.C21H24N4O2S/c1-23(2)14-18-19(15-24)22(29-13-8-17-6-4-3-5-7-17)25-21(20(18)16-28-23)26-9-11-27-12-10-26;1-21(2)11-16-17(12-22)20(28-14-15-5-3-4-6-23-15)24-19(18(16)13-27-21)25-7-9-26-10-8-25/h3-7H,8-14,16H2,1-2H3;3-6H,7-11,13-14H2,1-2H3
InChIKeyMQPPGJKMVMWLQI-UHFFFAOYSA-N
MW806.07 g/mol
LogP7.30
Rot. Bonds9

About 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 144742605) has the molecular formula C44H51N7O4S2 and a molecular weight of 806.07 g/mol. Its IUPAC name is 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID144742605
Molecular FormulaC44H51N7O4S2
Molecular Weight806.07 g/mol
Exact Mass805.34
IUPAC Name3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(SCCc3ccccc3)nc(N3CCOCC3)c2CO1.CC1(C)Cc2c(C#N)c(SCc3ccccn3)nc(N3CCOCC3)c2CO1
InChIInChI=1S/C23H27N3O2S.C21H24N4O2S/c1-23(2)14-18-19(15-24)22(29-13-8-17-6-4-3-5-7-17)25-21(20(18)16-28-23)26-9-11-27-12-10-26;1-21(2)11-16-17(12-22)20(28-14-15-5-3-4-6-23-15)24-19(18(16)13-27-21)25-7-9-26-10-8-25/h3-7H,8-14,16H2,1-2H3;3-6H,7-11,13-14H2,1-2H3
InChIKeyMQPPGJKMVMWLQI-UHFFFAOYSA-N
XLogP7.30
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500806.07
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

3,3-Dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 1289417
6-[2-(4-Aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281496
8-[4-(2-Methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282572
2-[4-[2-[[5-Cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine
CID 117687173
6-[2-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281091
8-(2,6-Dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281625
3,3-Dimethyl-8-morpholin-4-yl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282570
8-[4-(2-Methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282573
8-[4-(2-Methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-pyridin-4-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 118727924
3,3-Dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282571
8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 117687125
3,3-Dimethyl-8-(morpholin-4-YL)-6-[(3-phenylpropyl)sulfanyl]-1H,3H,4H-pyrano[3,4-C]pyridine-5-carbonitrile
CID 20895486

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 144742605) is 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(SCCc3ccccc3)nc(N3CCOCC3)c2CO1.CC1(C)Cc2c(C#N)c(SCc3ccccn3)nc(N3CCOCC3)c2CO1.
What is the InChIKey of 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is MQPPGJKMVMWLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S.C21H24N4O2S/c1-23(2)14-18-19(15-24)22(29-13-8-17-6-4-3-5-7-17)25-21(20(18)16-28-23)26-9-11-27-12-10-26;1-21(2)11-16-17(12-22)20(28-14-15-5-3-4-6-23-15)24-19(18(16)13-27-21)25-7-9-26-10-8-25/h3-7H,8-14,16H2,1-2H3;3-6H,7-11,13-14H2,1-2H3.
What are the key properties of 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 806.07 g/mol, XLogP of 7.30, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;3,3-dimethyl-8-morpholin-4-yl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 144742605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).