N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C18H20N4O3 — CID 134801177

IUPACN-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccc(OC)c2)nc2c1cnn2C
InChIInChI=1S/C18H20N4O3/c1-22-17-15(11-20-22)14(18(23)19-7-8-24-2)10-16(21-17)12-5-4-6-13(9-12)25-3/h4-6,9-11H,7-8H2,1-3H3,(H,19,23)
InChIKeyHKDYKIITQGECRH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.02
Rot. Bonds6

About N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801177) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801177
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccc(OC)c2)nc2c1cnn2C
InChIInChI=1S/C18H20N4O3/c1-22-17-15(11-20-22)14(18(23)19-7-8-24-2)10-16(21-17)12-5-4-6-13(9-12)25-3/h4-6,9-11H,7-8H2,1-3H3,(H,19,23)
InChIKeyHKDYKIITQGECRH-UHFFFAOYSA-N
XLogP2.02
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
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 N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801177) is N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COCCNC(=O)c1cc(-c2cccc(OC)c2)nc2c1cnn2C.
What is the InChIKey of N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HKDYKIITQGECRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-22-17-15(11-20-22)14(18(23)19-7-8-24-2)10-16(21-17)12-5-4-6-13(9-12)25-3/h4-6,9-11H,7-8H2,1-3H3,(H,19,23).
What are the key properties of N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).