3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

C19H17N5O4 — CID 160861137

IUPAC3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESNC(=O)c1ccn2ncc(C=O)c2c1.O=Cc1cnn2ccc(CCO)cc12
InChIInChI=1S/C10H10N2O2.C9H7N3O2/c13-4-2-8-1-3-12-10(5-8)9(7-14)6-11-12;10-9(14)6-1-2-12-8(3-6)7(5-13)4-11-12/h1,3,5-7,13H,2,4H2;1-5H,(H2,10,14)
InChIKeySKMPTSPHXMFWEB-UHFFFAOYSA-N
MW379.38 g/mol
LogP0.93
Rot. Bonds5

About 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 160861137) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID160861137
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESNC(=O)c1ccn2ncc(C=O)c2c1.O=Cc1cnn2ccc(CCO)cc12
InChIInChI=1S/C10H10N2O2.C9H7N3O2/c13-4-2-8-1-3-12-10(5-8)9(7-14)6-11-12;10-9(14)6-1-2-12-8(3-6)7(5-13)4-11-12/h1,3,5-7,13H,2,4H2;1-5H,(H2,10,14)
InChIKeySKMPTSPHXMFWEB-UHFFFAOYSA-N
XLogP0.93
TPSA132.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
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 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 160861137) is 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is NC(=O)c1ccn2ncc(C=O)c2c1.O=Cc1cnn2ccc(CCO)cc12.
What is the InChIKey of 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is SKMPTSPHXMFWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C9H7N3O2/c13-4-2-8-1-3-12-10(5-8)9(7-14)6-11-12;10-9(14)6-1-2-12-8(3-6)7(5-13)4-11-12/h1,3,5-7,13H,2,4H2;1-5H,(H2,10,14).
What are the key properties of 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 379.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 160861137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).