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

C14H10Cl2N4O3 — CID 59227395

IUPACN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2ccnn12
InChIInChI=1S/C14H10Cl2N4O3/c1-23-12-3-2-8(11-4-5-17-20(11)12)14(21)18-13-9(15)6-19(22)7-10(13)16/h2-7,22H,1H3
InChIKeyWFGNZTQNWVWUPV-UHFFFAOYSA-N
MW353.17 g/mol
LogP2.43
Rot. Bonds2

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

N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 59227395) has the molecular formula C14H10Cl2N4O3 and a molecular weight of 353.17 g/mol. Its IUPAC name is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID59227395
Molecular FormulaC14H10Cl2N4O3
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2ccnn12
InChIInChI=1S/C14H10Cl2N4O3/c1-23-12-3-2-8(11-4-5-17-20(11)12)14(21)18-13-9(15)6-19(22)7-10(13)16/h2-7,22H,1H3
InChIKeyWFGNZTQNWVWUPV-UHFFFAOYSA-N
XLogP2.43
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 52.43
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 N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (CID 59227395) is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for 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)c2ccnn12.
What is the InChIKey of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is WFGNZTQNWVWUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O3/c1-23-12-3-2-8(11-4-5-17-20(11)12)14(21)18-13-9(15)6-19(22)7-10(13)16/h2-7,22H,1H3.
What are the key properties of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 353.17 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 59227395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).