8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C24H30N4O2S — CID 86281625

IUPAC8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(SCCc3cccnc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1
InChIInChI=1S/C24H30N4O2S/c1-16-13-28(14-17(2)30-16)22-21-15-29-24(3,4)10-19(21)20(11-25)23(27-22)31-9-7-18-6-5-8-26-12-18/h5-6,8,12,16-17H,7,9-10,13-15H2,1-4H3
InChIKeyMERFCYNSVRDEON-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.15
Rot. Bonds5

About 8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 86281625) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID86281625
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(SCCc3cccnc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1
InChIInChI=1S/C24H30N4O2S/c1-16-13-28(14-17(2)30-16)22-21-15-29-24(3,4)10-19(21)20(11-25)23(27-22)31-9-7-18-6-5-8-26-12-18/h5-6,8,12,16-17H,7,9-10,13-15H2,1-4H3
InChIKeyMERFCYNSVRDEON-UHFFFAOYSA-N
XLogP4.15
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 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) is 8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1CN(c2nc(SCCc3cccnc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.
What is the InChIKey of 8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is MERFCYNSVRDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-16-13-28(14-17(2)30-16)22-21-15-29-24(3,4)10-19(21)20(11-25)23(27-22)31-9-7-18-6-5-8-26-12-18/h5-6,8,12,16-17H,7,9-10,13-15H2,1-4H3.
What are the key properties of 8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 438.60 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 86281625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).