6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O3 — CID 9325593

IUPAC6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C22H26N4O3/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)15-4-5-15)22(27)23-10-11-29-17-8-6-16(28-3)7-9-17/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,23,27)
InChIKeyIDLFYFREHKPJLW-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.71
Rot. Bonds8

About 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9325593) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9325593
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C22H26N4O3/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)15-4-5-15)22(27)23-10-11-29-17-8-6-16(28-3)7-9-17/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,23,27)
InChIKeyIDLFYFREHKPJLW-UHFFFAOYSA-N
XLogP3.71
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.71
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 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9325593) is 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(OCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IDLFYFREHKPJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)15-4-5-15)22(27)23-10-11-29-17-8-6-16(28-3)7-9-17/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,23,27).
What are the key properties of 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9325593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).