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

C22H20ClFN4O2 — CID 16591231

IUPACN-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(F)cc3Cl)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C22H20ClFN4O2/c1-11(2)28-21-17(10-25-28)16(9-20(26-21)15-7-12(3)30-13(15)4)22(29)27-19-6-5-14(24)8-18(19)23/h5-11H,1-4H3,(H,27,29)
InChIKeyJJYMXPJTTYMMTM-UHFFFAOYSA-N
MW426.88 g/mol
LogP5.93
Rot. Bonds4

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

N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16591231) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16591231
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC NameN-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(F)cc3Cl)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C22H20ClFN4O2/c1-11(2)28-21-17(10-25-28)16(9-20(26-21)15-7-12(3)30-13(15)4)22(29)27-19-6-5-14(24)8-18(19)23/h5-11H,1-4H3,(H,27,29)
InChIKeyJJYMXPJTTYMMTM-UHFFFAOYSA-N
XLogP5.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46508151
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24596747
6-(2,5-dimethylfuran-3-yl)-N-(2-methoxy-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55795053
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-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16591725
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)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494613
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
N-(2-chloro-4-fluorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485104

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16591231) is N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccc(F)cc3Cl)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JJYMXPJTTYMMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c1-11(2)28-21-17(10-25-28)16(9-20(26-21)15-7-12(3)30-13(15)4)22(29)27-19-6-5-14(24)8-18(19)23/h5-11H,1-4H3,(H,27,29).
What are the key properties of N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 426.88 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16591231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).