1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one

C14H14N4O — CID 23462984

IUPAC1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCC(C)n1[nH]c(=O)c2cc(-c3ccncc3)cnc21
InChIInChI=1S/C14H14N4O/c1-9(2)18-13-12(14(19)17-18)7-11(8-16-13)10-3-5-15-6-4-10/h3-9H,1-2H3,(H,17,19)
InChIKeyQKFUMGBPPOFYTF-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.37
Rot. Bonds2

About 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one

1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 23462984) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID23462984
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCC(C)n1[nH]c(=O)c2cc(-c3ccncc3)cnc21
InChIInChI=1S/C14H14N4O/c1-9(2)18-13-12(14(19)17-18)7-11(8-16-13)10-3-5-15-6-4-10/h3-9H,1-2H3,(H,17,19)
InChIKeyQKFUMGBPPOFYTF-UHFFFAOYSA-N
XLogP2.37
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 23462984) is 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one is CC(C)n1[nH]c(=O)c2cc(-c3ccncc3)cnc21.
What is the InChIKey of 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is QKFUMGBPPOFYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(2)18-13-12(14(19)17-18)7-11(8-16-13)10-3-5-15-6-4-10/h3-9H,1-2H3,(H,17,19).
What are the key properties of 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one?
1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 254.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 23462984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).