1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde

C11H10N6O2 — CID 147645530

IUPAC1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde
SMILESCc1nc2nonc2c(N)c1Cn1ccc(C=O)n1
InChIInChI=1S/C11H10N6O2/c1-6-8(4-17-3-2-7(5-18)14-17)9(12)10-11(13-6)16-19-15-10/h2-3,5H,4,12H2,1H3
InChIKeyGIMDQVBYTLJOKO-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.57
Rot. Bonds3

About 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde

1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde (PubChem CID 147645530) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde
PubChem CID147645530
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde
SMILESCc1nc2nonc2c(N)c1Cn1ccc(C=O)n1
InChIInChI=1S/C11H10N6O2/c1-6-8(4-17-3-2-7(5-18)14-17)9(12)10-11(13-6)16-19-15-10/h2-3,5H,4,12H2,1H3
InChIKeyGIMDQVBYTLJOKO-UHFFFAOYSA-N
XLogP0.57
TPSA112.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde?
The IUPAC name of 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde (CID 147645530) is 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde is Cc1nc2nonc2c(N)c1Cn1ccc(C=O)n1.
What is the InChIKey of 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde?
The InChIKey is GIMDQVBYTLJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-6-8(4-17-3-2-7(5-18)14-17)9(12)10-11(13-6)16-19-15-10/h2-3,5H,4,12H2,1H3.
What are the key properties of 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde?
1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde has a molecular weight of 258.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-3-carbaldehyde is sourced from PubChem (CID 147645530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).