(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

C18H15N5O3 — CID 31615743

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12
InChIInChI=1S/C18H15N5O3/c1-11-14-8-13(9-19-16(14)23(2)22-11)18(24)25-10-15-20-21-17(26-15)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyQLFXUPFUKLKYEA-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.68
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 31615743) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID31615743
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12
InChIInChI=1S/C18H15N5O3/c1-11-14-8-13(9-19-16(14)23(2)22-11)18(24)25-10-15-20-21-17(26-15)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyQLFXUPFUKLKYEA-UHFFFAOYSA-N
XLogP2.68
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 31615743) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is Cc1nn(C)c2ncc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is QLFXUPFUKLKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-11-14-8-13(9-19-16(14)23(2)22-11)18(24)25-10-15-20-21-17(26-15)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 349.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 31615743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).