N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide

C23H21FN4O2 — CID 137352263

IUPACN-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cc3cc(C4CCCCC4)cnc3n2)c1)c1ccco1
InChIInChI=1S/C23H21FN4O2/c24-19-9-8-18(26-23(29)21-7-4-10-30-21)12-20(19)28-14-17-11-16(13-25-22(17)27-28)15-5-2-1-3-6-15/h4,7-15H,1-3,5-6H2,(H,26,29)
InChIKeyJRXJIZOVUFEQAW-UHFFFAOYSA-N
MW404.45 g/mol
LogP5.45
Rot. Bonds4

About N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide

N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide (PubChem CID 137352263) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide
PubChem CID137352263
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cc3cc(C4CCCCC4)cnc3n2)c1)c1ccco1
InChIInChI=1S/C23H21FN4O2/c24-19-9-8-18(26-23(29)21-7-4-10-30-21)12-20(19)28-14-17-11-16(13-25-22(17)27-28)15-5-2-1-3-6-15/h4,7-15H,1-3,5-6H2,(H,26,29)
InChIKeyJRXJIZOVUFEQAW-UHFFFAOYSA-N
XLogP5.45
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 142487155
N-[3-[5-(cyclobutylmethyl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]azetidine-1-carboxamide
CID 142487124
N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide
CID 137353259
3,5-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 137353120
N-[3-[5-(azetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoroazetidine-1-carboxamide
CID 142487125
N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 2908045
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide
CID 142487172
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[4-fluoro-3-[5-(3-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 167133598
5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055654
N-(2-cyclohexyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide
CID 666129

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide (CID 137352263) is N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide is O=C(Nc1ccc(F)c(-n2cc3cc(C4CCCCC4)cnc3n2)c1)c1ccco1.
What is the InChIKey of N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide?
The InChIKey is JRXJIZOVUFEQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-19-9-8-18(26-23(29)21-7-4-10-30-21)12-20(19)28-14-17-11-16(13-25-22(17)27-28)15-5-2-1-3-6-15/h4,7-15H,1-3,5-6H2,(H,26,29).
What are the key properties of N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide?
N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide is sourced from PubChem (CID 137352263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).