N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide

C15H9Cl2F3N4O3 — CID 59227401

IUPACN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C15H9Cl2F3N4O3/c1-27-12-3-2-7(10-4-11(15(18,19)20)22-24(10)12)14(25)21-13-8(16)5-23(26)6-9(13)17/h2-6,26H,1H3
InChIKeyLMSBRAWKYGUCDI-UHFFFAOYSA-N
MW421.16 g/mol
LogP3.45
Rot. Bonds2

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

N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 59227401) has the molecular formula C15H9Cl2F3N4O3 and a molecular weight of 421.16 g/mol. Its IUPAC name is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID59227401
Molecular FormulaC15H9Cl2F3N4O3
Molecular Weight421.16 g/mol
Exact Mass420.00
IUPAC NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C15H9Cl2F3N4O3/c1-27-12-3-2-7(10-4-11(15(18,19)20)22-24(10)12)14(25)21-13-8(16)5-23(26)6-9(13)17/h2-6,26H,1H3
InChIKeyLMSBRAWKYGUCDI-UHFFFAOYSA-N
XLogP3.45
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.16
LogP ≤ 53.45
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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Related Compounds

N-(3,5-dichloropyridin-4-yl)-2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
CID 24772514
7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridine-4-carboxylic acid (3,5-dichloropyridin-4-yl)amide
CID 59227396
N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
CID 24772447
1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanone
CID 24798271
2-(3,5-Dichloropyridin-4-yl)-1-(7-methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)ethanone
CID 24798272
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
CID 59227395
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
CID 59227408
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide
CID 24772446
2-cyclopropyl-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
CID 24772449
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(methoxymethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 72188901
2-cyano-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
CID 72188902
[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-pyridin-4-ylmethanone
CID 72193177

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide (CID 59227401) is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide is COc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2cc(C(F)(F)F)nn12.
What is the InChIKey of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is LMSBRAWKYGUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N4O3/c1-27-12-3-2-7(10-4-11(15(18,19)20)22-24(10)12)14(25)21-13-8(16)5-23(26)6-9(13)17/h2-6,26H,1H3.
What are the key properties of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 421.16 g/mol, XLogP of 3.45, 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-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 59227401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).