N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H20N4O3 — CID 18273600

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC(C)c3cc4ccccc4o3)c12
InChIInChI=1S/C23H20N4O3/c1-13(20-11-15-7-4-5-8-18(15)30-20)24-23(28)16-12-17(19-9-6-10-29-19)25-22-21(16)14(2)26-27(22)3/h4-13H,1-3H3,(H,24,28)
InChIKeyQUHGMWYKAQROBL-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.77
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18273600) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18273600
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC(C)c3cc4ccccc4o3)c12
InChIInChI=1S/C23H20N4O3/c1-13(20-11-15-7-4-5-8-18(15)30-20)24-23(28)16-12-17(19-9-6-10-29-19)25-22-21(16)14(2)26-27(22)3/h4-13H,1-3H3,(H,24,28)
InChIKeyQUHGMWYKAQROBL-UHFFFAOYSA-N
XLogP4.77
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622447
6-(furan-2-yl)-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46508693
6-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134037006
N-[2,6-di(propan-2-yl)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620877
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
diethyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanedioate
CID 55513345
N-[cyclopropyl(phenyl)methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18285073
6-(furan-2-yl)-1,3-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 33122675
6-(furan-2-yl)-1,3-dimethyl-N-naphthalen-1-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620803
N-cyclopropyl-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35185320
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622496
6-(furan-2-yl)-1,3-dimethyl-N-[4-(methylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622390

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 18273600) is N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC(C)c3cc4ccccc4o3)c12.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QUHGMWYKAQROBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-13(20-11-15-7-4-5-8-18(15)30-20)24-23(28)16-12-17(19-9-6-10-29-19)25-22-21(16)14(2)26-27(22)3/h4-13H,1-3H3,(H,24,28).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18273600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).