7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile

C18H18N4O3 — CID 58837544

IUPAC7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCOCCOc1ccc(Nc2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C18H18N4O3/c1-12-17(23)15(11-19)16-7-8-20-22(16)18(12)21-13-3-5-14(6-4-13)25-10-9-24-2/h3-8,20-21H,9-10H2,1-2H3
InChIKeyUGKOGXRVNSPOGU-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.58
Rot. Bonds6

About 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile

7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 58837544) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID58837544
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCOCCOc1ccc(Nc2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C18H18N4O3/c1-12-17(23)15(11-19)16-7-8-20-22(16)18(12)21-13-3-5-14(6-4-13)25-10-9-24-2/h3-8,20-21H,9-10H2,1-2H3
InChIKeyUGKOGXRVNSPOGU-UHFFFAOYSA-N
XLogP2.58
TPSA91.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 58837544) is 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile is COCCOc1ccc(Nc2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1.
What is the InChIKey of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is UGKOGXRVNSPOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-17(23)15(11-19)16-7-8-20-22(16)18(12)21-13-3-5-14(6-4-13)25-10-9-24-2/h3-8,20-21H,9-10H2,1-2H3.
What are the key properties of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 338.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 58837544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).