5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile

C24H19N7O — CID 118937133

IUPAC5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(C#N)nc3)cn([C@@H](C)c3ccccn3)c2n1
InChIInChI=1S/C24H19N7O/c1-14-22(16(3)32-30-14)21-12-28-23-19(17-7-8-18(10-25)27-11-17)13-31(24(23)29-21)15(2)20-6-4-5-9-26-20/h4-9,11-13,15H,1-3H3/t15-/m0/s1
InChIKeyXEFLQMLQMBATEW-HNNXBMFYSA-N
MW421.46 g/mol
LogP4.64
Rot. Bonds4

About 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile

5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile (PubChem CID 118937133) has the molecular formula C24H19N7O and a molecular weight of 421.46 g/mol. Its IUPAC name is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile
PubChem CID118937133
Molecular FormulaC24H19N7O
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(C#N)nc3)cn([C@@H](C)c3ccccn3)c2n1
InChIInChI=1S/C24H19N7O/c1-14-22(16(3)32-30-14)21-12-28-23-19(17-7-8-18(10-25)27-11-17)13-31(24(23)29-21)15(2)20-6-4-5-9-26-20/h4-9,11-13,15H,1-3H3/t15-/m0/s1
InChIKeyXEFLQMLQMBATEW-HNNXBMFYSA-N
XLogP4.64
TPSA106.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile (CID 118937133) is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile is Cc1noc(C)c1-c1cnc2c(-c3ccc(C#N)nc3)cn([C@@H](C)c3ccccn3)c2n1.
What is the InChIKey of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile?
The InChIKey is XEFLQMLQMBATEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H19N7O/c1-14-22(16(3)32-30-14)21-12-28-23-19(17-7-8-18(10-25)27-11-17)13-31(24(23)29-21)15(2)20-6-4-5-9-26-20/h4-9,11-13,15H,1-3H3/t15-/m0/s1.
What are the key properties of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile?
5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile has a molecular weight of 421.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118937133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).