3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C22H24N4O2 — CID 135450638

IUPAC3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccco3)cc12
InChIInChI=1S/C22H24N4O2/c1-22(2,3)19-18-12-15(13-23-14-17-10-7-11-28-17)21(27)24-20(18)26(25-19)16-8-5-4-6-9-16/h4-12,23H,13-14H2,1-3H3,(H,24,27)
InChIKeyVUPOJJVUDIXCJU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.89
Rot. Bonds5

About 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135450638) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135450638
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccco3)cc12
InChIInChI=1S/C22H24N4O2/c1-22(2,3)19-18-12-15(13-23-14-17-10-7-11-28-17)21(27)24-20(18)26(25-19)16-8-5-4-6-9-16/h4-12,23H,13-14H2,1-3H3,(H,24,27)
InChIKeyVUPOJJVUDIXCJU-UHFFFAOYSA-N
XLogP3.89
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135450638) is 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccco3)cc12.
What is the InChIKey of 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VUPOJJVUDIXCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,3)19-18-12-15(13-23-14-17-10-7-11-28-17)21(27)24-20(18)26(25-19)16-8-5-4-6-9-16/h4-12,23H,13-14H2,1-3H3,(H,24,27).
What are the key properties of 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 376.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(furan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135450638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).