2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile

C26H26N6O2S — CID 77105835

IUPAC2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile
SMILESCC1CN(Cc2ccc(COc3nccc(C(C#N)c4nc5cnccc5s4)n3)cc2)CC(C)O1
InChIInChI=1S/C26H26N6O2S/c1-17-13-32(14-18(2)34-17)15-19-3-5-20(6-4-19)16-33-26-29-10-7-22(31-26)21(11-27)25-30-23-12-28-9-8-24(23)35-25/h3-10,12,17-18,21H,13-16H2,1-2H3
InChIKeyCBNQQIMMUXTURY-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.32
Rot. Bonds7

About 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile

2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile (PubChem CID 77105835) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile
PubChem CID77105835
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile
SMILESCC1CN(Cc2ccc(COc3nccc(C(C#N)c4nc5cnccc5s4)n3)cc2)CC(C)O1
InChIInChI=1S/C26H26N6O2S/c1-17-13-32(14-18(2)34-17)15-19-3-5-20(6-4-19)16-33-26-29-10-7-22(31-26)21(11-27)25-30-23-12-28-9-8-24(23)35-25/h3-10,12,17-18,21H,13-16H2,1-2H3
InChIKeyCBNQQIMMUXTURY-UHFFFAOYSA-N
XLogP4.32
TPSA97.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile?
The IUPAC name of 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile (CID 77105835) is 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile?
The canonical SMILES for 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile is CC1CN(Cc2ccc(COc3nccc(C(C#N)c4nc5cnccc5s4)n3)cc2)CC(C)O1.
What is the InChIKey of 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile?
The InChIKey is CBNQQIMMUXTURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-17-13-32(14-18(2)34-17)15-19-3-5-20(6-4-19)16-33-26-29-10-7-22(31-26)21(11-27)25-30-23-12-28-9-8-24(23)35-25/h3-10,12,17-18,21H,13-16H2,1-2H3.
What are the key properties of 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile?
2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile has a molecular weight of 486.60 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile is sourced from PubChem (CID 77105835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).