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

C21H19BrN4O2 — CID 16622447

IUPACN-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC(C)c3ccccc3Br)c12
InChIInChI=1S/C21H19BrN4O2/c1-12(14-7-4-5-8-16(14)22)23-21(27)15-11-17(18-9-6-10-28-18)24-20-19(15)13(2)25-26(20)3/h4-12H,1-3H3,(H,23,27)
InChIKeyOCGNTKYIHKCVET-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.79
Rot. Bonds4

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

N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16622447) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16622447
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC(C)c3ccccc3Br)c12
InChIInChI=1S/C21H19BrN4O2/c1-12(14-7-4-5-8-16(14)22)23-21(27)15-11-17(18-9-6-10-28-18)24-20-19(15)13(2)25-26(20)3/h4-12H,1-3H3,(H,23,27)
InChIKeyOCGNTKYIHKCVET-UHFFFAOYSA-N
XLogP4.79
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18273600
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-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-[cyclopropyl(phenyl)methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18285073
diethyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanedioate
CID 55513345
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-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51118093
N-cyclopropyl-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35185320
6-(furan-2-yl)-1,3-dimethyl-N-naphthalen-1-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620803
N-[1-(2-methoxyphenyl)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42930632

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16622447) is N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC(C)c3ccccc3Br)c12.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OCGNTKYIHKCVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c1-12(14-7-4-5-8-16(14)22)23-21(27)15-11-17(18-9-6-10-28-18)24-20-19(15)13(2)25-26(20)3/h4-12H,1-3H3,(H,23,27).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16622447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).