N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide

C15H10N6O2 — CID 134807089

IUPACN-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
SMILESO=C(Nc1ccon1)c1cnc2n[nH]c(-c3ccccc3)c2n1
InChIInChI=1S/C15H10N6O2/c22-15(18-11-6-7-23-21-11)10-8-16-14-13(17-10)12(19-20-14)9-4-2-1-3-5-9/h1-8H,(H,16,19,20)(H,18,21,22)
InChIKeyILXAOUHZNFQIIX-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.26
Rot. Bonds3

About N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide

N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (PubChem CID 134807089) has the molecular formula C15H10N6O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
PubChem CID134807089
Molecular FormulaC15H10N6O2
Molecular Weight306.29 g/mol
Exact Mass306.09
IUPAC NameN-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
SMILESO=C(Nc1ccon1)c1cnc2n[nH]c(-c3ccccc3)c2n1
InChIInChI=1S/C15H10N6O2/c22-15(18-11-6-7-23-21-11)10-8-16-14-13(17-10)12(19-20-14)9-4-2-1-3-5-9/h1-8H,(H,16,19,20)(H,18,21,22)
InChIKeyILXAOUHZNFQIIX-UHFFFAOYSA-N
XLogP2.26
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (CID 134807089) is N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is O=C(Nc1ccon1)c1cnc2n[nH]c(-c3ccccc3)c2n1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The InChIKey is ILXAOUHZNFQIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2/c22-15(18-11-6-7-23-21-11)10-8-16-14-13(17-10)12(19-20-14)9-4-2-1-3-5-9/h1-8H,(H,16,19,20)(H,18,21,22).
What are the key properties of N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is sourced from PubChem (CID 134807089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).