6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H30N4O3 — CID 55595224

IUPAC6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C26H30N4O3/c1-15(2)30-25-22(14-27-30)21(13-23(28-25)20-12-16(3)33-18(20)5)26(31)29(6)17(4)19-10-8-9-11-24(19)32-7/h8-15,17H,1-7H3
InChIKeyHOGMXNWFOLBEQY-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.73
Rot. Bonds6

About 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55595224) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55595224
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C26H30N4O3/c1-15(2)30-25-22(14-27-30)21(13-23(28-25)20-12-16(3)33-18(20)5)26(31)29(6)17(4)19-10-8-9-11-24(19)32-7/h8-15,17H,1-7H3
InChIKeyHOGMXNWFOLBEQY-UHFFFAOYSA-N
XLogP5.73
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55595224) is 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1C(C)N(C)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HOGMXNWFOLBEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-15(2)30-25-22(14-27-30)21(13-23(28-25)20-12-16(3)33-18(20)5)26(31)29(6)17(4)19-10-8-9-11-24(19)32-7/h8-15,17H,1-7H3.
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55595224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).