(3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate

C19H16N4O3 — CID 31198228

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCc1cc(COC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)on1
InChIInChI=1S/C19H16N4O3/c1-13-7-17(26-22-13)12-25-19(24)16-8-15-10-21-23(18(15)20-9-16)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyJWSWSSPKMNPEQA-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.13
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 31198228) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID31198228
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCc1cc(COC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)on1
InChIInChI=1S/C19H16N4O3/c1-13-7-17(26-22-13)12-25-19(24)16-8-15-10-21-23(18(15)20-9-16)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyJWSWSSPKMNPEQA-UHFFFAOYSA-N
XLogP3.13
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 31198228) is (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate is Cc1cc(COC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is JWSWSSPKMNPEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-13-7-17(26-22-13)12-25-19(24)16-8-15-10-21-23(18(15)20-9-16)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 31198228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).