6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H23FN6O2 — CID 55856117

IUPAC6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C25H23FN6O2/c1-14(2)32-24-20(12-28-32)19(11-22(30-24)18-9-15(3)34-16(18)4)25(33)29-17-5-6-23(21(26)10-17)31-8-7-27-13-31/h5-14H,1-4H3,(H,29,33)
InChIKeyWKVUDHNBCIGOIX-UHFFFAOYSA-N
MW458.50 g/mol
LogP5.47
Rot. Bonds5

About 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55856117) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55856117
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C25H23FN6O2/c1-14(2)32-24-20(12-28-32)19(11-22(30-24)18-9-15(3)34-16(18)4)25(33)29-17-5-6-23(21(26)10-17)31-8-7-27-13-31/h5-14H,1-4H3,(H,29,33)
InChIKeyWKVUDHNBCIGOIX-UHFFFAOYSA-N
XLogP5.47
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16592751
N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494613
N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16591231
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
6-(2,5-dimethylfuran-3-yl)-1-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78859788
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
6-(2,5-dimethylfuran-3-yl)-N-(2-methoxy-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55795053
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46508151
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119405283
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46589765

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55856117) is 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WKVUDHNBCIGOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-14(2)32-24-20(12-28-32)19(11-22(30-24)18-9-15(3)34-16(18)4)25(33)29-17-5-6-23(21(26)10-17)31-8-7-27-13-31/h5-14H,1-4H3,(H,29,33).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55856117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).