3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane

C22H26N4O — CID 142558064

IUPAC3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane
SMILESCC.Cc1noc(C)c1-c1cnc2c(C)cn(C(C)c3ccccn3)c2c1
InChIInChI=1S/C20H20N4O.C2H6/c1-12-11-24(14(3)17-7-5-6-8-21-17)18-9-16(10-22-20(12)18)19-13(2)23-25-15(19)4;1-2/h5-11,14H,1-4H3;1-2H3
InChIKeyFXCOFRSZYANAMF-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.65
Rot. Bonds3

About 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane

3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane (PubChem CID 142558064) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane
PubChem CID142558064
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane
SMILESCC.Cc1noc(C)c1-c1cnc2c(C)cn(C(C)c3ccccn3)c2c1
InChIInChI=1S/C20H20N4O.C2H6/c1-12-11-24(14(3)17-7-5-6-8-21-17)18-9-16(10-22-20(12)18)19-13(2)23-25-15(19)4;1-2/h5-11,14H,1-4H3;1-2H3
InChIKeyFXCOFRSZYANAMF-UHFFFAOYSA-N
XLogP5.65
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[3-methyl-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
CID 123241057
3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
CID 118059912
4-[1-[4H-azepin-7-yl(pyridin-2-yl)methyl]-3-methylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 166966561
ethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate
CID 118059725
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 118059784
2-chloro-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid
CID 118060012
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid
CID 118059817
4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 130278116
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfinamide
CID 118069559
4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 90448939
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfinamide;methane;hydrate
CID 158611894
3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
CID 155195055

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane?
The IUPAC name of 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane (CID 142558064) is 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane.
What is the SMILES notation for 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane?
The canonical SMILES for 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane is CC.Cc1noc(C)c1-c1cnc2c(C)cn(C(C)c3ccccn3)c2c1.
What is the InChIKey of 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane?
The InChIKey is FXCOFRSZYANAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.C2H6/c1-12-11-24(14(3)17-7-5-6-8-21-17)18-9-16(10-22-20(12)18)19-13(2)23-25-15(19)4;1-2/h5-11,14H,1-4H3;1-2H3.
What are the key properties of 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane?
3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane has a molecular weight of 362.48 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane is sourced from PubChem (CID 142558064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).