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

C17H13N3O2 — CID 135562132

IUPAC4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)cc(-c3ccco3)c12
InChIInChI=1S/C17H13N3O2/c1-11-16-13(14-8-5-9-22-14)10-15(21)18-17(16)20(19-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,18,21)
InChIKeyOMRNQSQLRVXXRD-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.28
Rot. Bonds2

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

4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135562132) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135562132
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)cc(-c3ccco3)c12
InChIInChI=1S/C17H13N3O2/c1-11-16-13(14-8-5-9-22-14)10-15(21)18-17(16)20(19-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,18,21)
InChIKeyOMRNQSQLRVXXRD-UHFFFAOYSA-N
XLogP3.28
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135562132) is 4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)cc(-c3ccco3)c12.
What is the InChIKey of 4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OMRNQSQLRVXXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-11-16-13(14-8-5-9-22-14)10-15(21)18-17(16)20(19-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,18,21).
What are the key properties of 4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 291.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135562132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).