3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one

C17H16N4O — CID 155966910

IUPAC3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one
SMILESCn1ncc2cc(-c3ccc4c(c3)NC(=O)C4(C)C)cnc21
InChIInChI=1S/C17H16N4O/c1-17(2)13-5-4-10(7-14(13)20-16(17)22)11-6-12-9-19-21(3)15(12)18-8-11/h4-9H,1-3H3,(H,20,22)
InChIKeyVQMXMOUOXSZAKE-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.87
Rot. Bonds1

About 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one

3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one (PubChem CID 155966910) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one
PubChem CID155966910
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one
SMILESCn1ncc2cc(-c3ccc4c(c3)NC(=O)C4(C)C)cnc21
InChIInChI=1S/C17H16N4O/c1-17(2)13-5-4-10(7-14(13)20-16(17)22)11-6-12-9-19-21(3)15(12)18-8-11/h4-9H,1-3H3,(H,20,22)
InChIKeyVQMXMOUOXSZAKE-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one (CID 155966910) is 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one is Cn1ncc2cc(-c3ccc4c(c3)NC(=O)C4(C)C)cnc21.
What is the InChIKey of 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one?
The InChIKey is VQMXMOUOXSZAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-17(2)13-5-4-10(7-14(13)20-16(17)22)11-6-12-9-19-21(3)15(12)18-8-11/h4-9H,1-3H3,(H,20,22).
What are the key properties of 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one?
3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one is sourced from PubChem (CID 155966910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).