2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol

C23H26N6O3 — CID 156832053

IUPAC2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
SMILESCOC(CO)c1nc(N2CCOCC2)cc(-n2ccc(-c3cn(C)c4ccccc34)n2)n1
InChIInChI=1S/C23H26N6O3/c1-27-14-17(16-5-3-4-6-19(16)27)18-7-8-29(26-18)22-13-21(28-9-11-32-12-10-28)24-23(25-22)20(15-30)31-2/h3-8,13-14,20,30H,9-12,15H2,1-2H3
InChIKeyOBLFYELJOUAFGX-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.34
Rot. Bonds6

About 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol

2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol (PubChem CID 156832053) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
PubChem CID156832053
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
SMILESCOC(CO)c1nc(N2CCOCC2)cc(-n2ccc(-c3cn(C)c4ccccc34)n2)n1
InChIInChI=1S/C23H26N6O3/c1-27-14-17(16-5-3-4-6-19(16)27)18-7-8-29(26-18)22-13-21(28-9-11-32-12-10-28)24-23(25-22)20(15-30)31-2/h3-8,13-14,20,30H,9-12,15H2,1-2H3
InChIKeyOBLFYELJOUAFGX-UHFFFAOYSA-N
XLogP2.34
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol
CID 156831875
(2R)-2-[4-[3-(1,3-benzothiazol-7-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol
CID 156831987
2-[4-[3-(1,3-benzothiazol-7-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol
CID 170158861
2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 166709521
4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine
CID 156832007
4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831967
3-hydroxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile
CID 156831881
2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
CID 170269025
4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832043
4-(1-methylindol-3-yl)morpholine
CID 12530824
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831887
[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
CID 62973118

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol?
The IUPAC name of 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol (CID 156832053) is 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol?
The canonical SMILES for 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol is COC(CO)c1nc(N2CCOCC2)cc(-n2ccc(-c3cn(C)c4ccccc34)n2)n1.
What is the InChIKey of 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol?
The InChIKey is OBLFYELJOUAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-27-14-17(16-5-3-4-6-19(16)27)18-7-8-29(26-18)22-13-21(28-9-11-32-12-10-28)24-23(25-22)20(15-30)31-2/h3-8,13-14,20,30H,9-12,15H2,1-2H3.
What are the key properties of 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol?
2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol has a molecular weight of 434.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol is sourced from PubChem (CID 156832053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).