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

C17H16Cl2N4O3 — CID 24772446

IUPACN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2cc(C(C)C)nn12
InChIInChI=1S/C17H16Cl2N4O3/c1-9(2)13-6-14-10(4-5-15(26-3)23(14)21-13)17(24)20-16-11(18)7-22(25)8-12(16)19/h4-9,25H,1-3H3
InChIKeyBPQYGRQAUSFICX-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.55
Rot. Bonds3

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

N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 24772446) has the molecular formula C17H16Cl2N4O3 and a molecular weight of 395.25 g/mol. Its IUPAC name is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID24772446
Molecular FormulaC17H16Cl2N4O3
Molecular Weight395.25 g/mol
Exact Mass394.06
IUPAC NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2cc(C(C)C)nn12
InChIInChI=1S/C17H16Cl2N4O3/c1-9(2)13-6-14-10(4-5-15(26-3)23(14)21-13)17(24)20-16-11(18)7-22(25)8-12(16)19/h4-9,25H,1-3H3
InChIKeyBPQYGRQAUSFICX-UHFFFAOYSA-N
XLogP3.55
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.55
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-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide (CID 24772446) is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide is COc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2cc(C(C)C)nn12.
What is the InChIKey of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is BPQYGRQAUSFICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3/c1-9(2)13-6-14-10(4-5-15(26-3)23(14)21-13)17(24)20-16-11(18)7-22(25)8-12(16)19/h4-9,25H,1-3H3.
What are the key properties of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide?
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 395.25 g/mol, XLogP of 3.55, 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)-7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 24772446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).