3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole

C11H10N4O — CID 139331043

IUPAC3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2cn[nH]c2n1
InChIInChI=1S/C11H10N4O/c1-6-10(7(2)16-15-6)9-4-3-8-5-12-14-11(8)13-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyIIIMHMFQSULFFV-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.23
Rot. Bonds1

About 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole

3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole (PubChem CID 139331043) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole
PubChem CID139331043
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2cn[nH]c2n1
InChIInChI=1S/C11H10N4O/c1-6-10(7(2)16-15-6)9-4-3-8-5-12-14-11(8)13-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyIIIMHMFQSULFFV-UHFFFAOYSA-N
XLogP2.23
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole (CID 139331043) is 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole is Cc1noc(C)c1-c1ccc2cn[nH]c2n1.
What is the InChIKey of 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole?
The InChIKey is IIIMHMFQSULFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-6-10(7(2)16-15-6)9-4-3-8-5-12-14-11(8)13-9/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole?
3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole has a molecular weight of 214.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole is sourced from PubChem (CID 139331043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).