2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide

C17H14Cl2N4O3 — CID 24772449

IUPAC2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2cc(C3CC3)nn12
InChIInChI=1S/C17H14Cl2N4O3/c1-26-15-5-4-10(14-6-13(9-2-3-9)21-23(14)15)17(24)20-16-11(18)7-22(25)8-12(16)19/h4-9,25H,2-3H2,1H3
InChIKeyKEKJJCATSUXDIF-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.31
Rot. Bonds3

About 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide

2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 24772449) has the molecular formula C17H14Cl2N4O3 and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID24772449
Molecular FormulaC17H14Cl2N4O3
Molecular Weight393.23 g/mol
Exact Mass392.04
IUPAC Name2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2cc(C3CC3)nn12
InChIInChI=1S/C17H14Cl2N4O3/c1-26-15-5-4-10(14-6-13(9-2-3-9)21-23(14)15)17(24)20-16-11(18)7-22(25)8-12(16)19/h4-9,25H,2-3H2,1H3
InChIKeyKEKJJCATSUXDIF-UHFFFAOYSA-N
XLogP3.31
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (CID 24772449) is 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide is COc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2cc(C3CC3)nn12.
What is the InChIKey of 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is KEKJJCATSUXDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3/c1-26-15-5-4-10(14-6-13(9-2-3-9)21-23(14)15)17(24)20-16-11(18)7-22(25)8-12(16)19/h4-9,25H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 393.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 24772449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).