1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one

C18H18N4O2 — CID 166190299

IUPAC1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C(=O)N2CC(C)c3ccccc32)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C18H18N4O2/c1-10-9-22(14-7-5-4-6-12(10)14)18(24)13-8-11(2)19-16-15(13)17(23)20-21(16)3/h4-8,10H,9H2,1-3H3,(H,20,23)
InChIKeyMQUWOKROKPLRRD-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.33
Rot. Bonds1

About 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one

1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 166190299) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID166190299
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C(=O)N2CC(C)c3ccccc32)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C18H18N4O2/c1-10-9-22(14-7-5-4-6-12(10)14)18(24)13-8-11(2)19-16-15(13)17(23)20-21(16)3/h4-8,10H,9H2,1-3H3,(H,20,23)
InChIKeyMQUWOKROKPLRRD-UHFFFAOYSA-N
XLogP2.33
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one (CID 166190299) is 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C(=O)N2CC(C)c3ccccc32)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is MQUWOKROKPLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10-9-22(14-7-5-4-6-12(10)14)18(24)13-8-11(2)19-16-15(13)17(23)20-21(16)3/h4-8,10H,9H2,1-3H3,(H,20,23).
What are the key properties of 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 322.37 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 166190299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).