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

C16H14Cl2N4O3 — CID 59227408

IUPACN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCCc1cc2c(C(=O)N=c3c(Cl)cn(O)cc3Cl)ccc(OC)n2n1
InChIInChI=1S/C16H14Cl2N4O3/c1-3-9-6-13-10(4-5-14(25-2)22(13)20-9)16(23)19-15-11(17)7-21(24)8-12(15)18/h4-8,24H,3H2,1-2H3
InChIKeyMAWHYTVHSLSMTG-UHFFFAOYSA-N
MW381.22 g/mol
LogP2.99
Rot. Bonds3

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

N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 59227408) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID59227408
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCCc1cc2c(C(=O)N=c3c(Cl)cn(O)cc3Cl)ccc(OC)n2n1
InChIInChI=1S/C16H14Cl2N4O3/c1-3-9-6-13-10(4-5-14(25-2)22(13)20-9)16(23)19-15-11(17)7-21(24)8-12(15)18/h4-8,24H,3H2,1-2H3
InChIKeyMAWHYTVHSLSMTG-UHFFFAOYSA-N
XLogP2.99
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.99
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)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (CID 59227408) is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide is CCc1cc2c(C(=O)N=c3c(Cl)cn(O)cc3Cl)ccc(OC)n2n1.
What is the InChIKey of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is MAWHYTVHSLSMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c1-3-9-6-13-10(4-5-14(25-2)22(13)20-9)16(23)19-15-11(17)7-21(24)8-12(15)18/h4-8,24H,3H2,1-2H3.
What are the key properties of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 381.22 g/mol, XLogP of 2.99, 3 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)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 59227408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).