6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C23H21N7O2 — CID 55971926

IUPAC6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3cccc(Cn4cncn4)c3)c12
InChIInChI=1S/C23H21N7O2/c1-15-21-18(10-19(20-7-4-8-32-20)27-22(21)29(2)28-15)23(31)25-11-16-5-3-6-17(9-16)12-30-14-24-13-26-30/h3-10,13-14H,11-12H2,1-2H3,(H,25,31)
InChIKeySTGDSILVWYVOJE-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.11
Rot. Bonds6

About 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55971926) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55971926
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3cccc(Cn4cncn4)c3)c12
InChIInChI=1S/C23H21N7O2/c1-15-21-18(10-19(20-7-4-8-32-20)27-22(21)29(2)28-15)23(31)25-11-16-5-3-6-17(9-16)12-30-14-24-13-26-30/h3-10,13-14H,11-12H2,1-2H3,(H,25,31)
InChIKeySTGDSILVWYVOJE-UHFFFAOYSA-N
XLogP3.11
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37172394
6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55962171
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-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55520262
benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 35186695
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56579846
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822827
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
6-(furan-2-yl)-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46508693
N-cyclopropyl-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35185320
N-[2,6-di(propan-2-yl)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620877

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55971926) is 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3cccc(Cn4cncn4)c3)c12.
What is the InChIKey of 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is STGDSILVWYVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-15-21-18(10-19(20-7-4-8-32-20)27-22(21)29(2)28-15)23(31)25-11-16-5-3-6-17(9-16)12-30-14-24-13-26-30/h3-10,13-14H,11-12H2,1-2H3,(H,25,31).
What are the key properties of 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55971926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).