3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

C14H15N5O2 — CID 138381918

IUPAC3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1[nH]nc2ncccc12
InChIInChI=1S/C14H15N5O2/c1-3-10-12(8(2)21-19-10)14(20)16-7-11-9-5-4-6-15-13(9)18-17-11/h4-6H,3,7H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyBJEKZBYOGILRLQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.75
Rot. Bonds4

About 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 138381918) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID138381918
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1[nH]nc2ncccc12
InChIInChI=1S/C14H15N5O2/c1-3-10-12(8(2)21-19-10)14(20)16-7-11-9-5-4-6-15-13(9)18-17-11/h4-6H,3,7H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyBJEKZBYOGILRLQ-UHFFFAOYSA-N
XLogP1.75
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (CID 138381918) is 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCc1[nH]nc2ncccc12.
What is the InChIKey of 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is BJEKZBYOGILRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-3-10-12(8(2)21-19-10)14(20)16-7-11-9-5-4-6-15-13(9)18-17-11/h4-6H,3,7H2,1-2H3,(H,16,20)(H,15,17,18).
What are the key properties of 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138381918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).