4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole

C21H18N6O — CID 90105980

IUPAC4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2[nH]cc(-c3cnn(Cc4ccccc4)c3)c2n1
InChIInChI=1S/C21H18N6O/c1-13-19(14(2)28-26-13)18-10-23-21-20(25-18)17(9-22-21)16-8-24-27(12-16)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyVQQVICHRMVDRPH-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.14
Rot. Bonds4

About 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90105980) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90105980
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2[nH]cc(-c3cnn(Cc4ccccc4)c3)c2n1
InChIInChI=1S/C21H18N6O/c1-13-19(14(2)28-26-13)18-10-23-21-20(25-18)17(9-22-21)16-8-24-27(12-16)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyVQQVICHRMVDRPH-UHFFFAOYSA-N
XLogP4.14
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 90105980) is 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc2[nH]cc(-c3cnn(Cc4ccccc4)c3)c2n1.
What is the InChIKey of 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is VQQVICHRMVDRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-13-19(14(2)28-26-13)18-10-23-21-20(25-18)17(9-22-21)16-8-24-27(12-16)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 370.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90105980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).