(1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium

C8H8N3O2+ — CID 163525496

IUPAC(1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium
SMILESCn1ncc2c(C(=O)[OH2+])cncc21
InChIInChI=1S/C8H7N3O2/c1-11-7-4-9-2-6(8(12)13)5(7)3-10-11/h2-4H,1H3,(H,12,13)/p+1
InChIKeyDOJYLWMKMFONQG-UHFFFAOYSA-O
MW178.17 g/mol
LogP-0.17
Rot. Bonds1

About (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium

(1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium (PubChem CID 163525496) has the molecular formula C8H8N3O2+ and a molecular weight of 178.17 g/mol. Its IUPAC name is (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium.

Molecular Properties

Compound Name(1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium
PubChem CID163525496
Molecular FormulaC8H8N3O2+
Molecular Weight178.17 g/mol
Exact Mass178.06
IUPAC Name(1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium
SMILESCn1ncc2c(C(=O)[OH2+])cncc21
InChIInChI=1S/C8H7N3O2/c1-11-7-4-9-2-6(8(12)13)5(7)3-10-11/h2-4H,1H3,(H,12,13)/p+1
InChIKeyDOJYLWMKMFONQG-UHFFFAOYSA-O
XLogP-0.17
TPSA70.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium?
The IUPAC name of (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium (CID 163525496) is (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium.
What is the SMILES notation for (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium?
The canonical SMILES for (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium is Cn1ncc2c(C(=O)[OH2+])cncc21.
What is the InChIKey of (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium?
The InChIKey is DOJYLWMKMFONQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7N3O2/c1-11-7-4-9-2-6(8(12)13)5(7)3-10-11/h2-4H,1H3,(H,12,13)/p+1.
What are the key properties of (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium?
(1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium has a molecular weight of 178.17 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazolo[5,4-c]pyridine-4-carbonyl)oxidanium is sourced from PubChem (CID 163525496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).