2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one

C22H20N4O — CID 126814924

IUPAC2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
SMILESCc1ccc2[nH]c3c(c2c1)CCC(=Cc1cnc2c(c1)c(C)nn2C)C3=O
InChIInChI=1S/C22H20N4O/c1-12-4-7-19-18(8-12)16-6-5-15(21(27)20(16)24-19)9-14-10-17-13(2)25-26(3)22(17)23-11-14/h4,7-11,24H,5-6H2,1-3H3
InChIKeyGCUYASSAOVTZJS-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.28
Rot. Bonds1

About 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one

2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one (PubChem CID 126814924) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
PubChem CID126814924
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
SMILESCc1ccc2[nH]c3c(c2c1)CCC(=Cc1cnc2c(c1)c(C)nn2C)C3=O
InChIInChI=1S/C22H20N4O/c1-12-4-7-19-18(8-12)16-6-5-15(21(27)20(16)24-19)9-14-10-17-13(2)25-26(3)22(17)23-11-14/h4,7-11,24H,5-6H2,1-3H3
InChIKeyGCUYASSAOVTZJS-UHFFFAOYSA-N
XLogP4.28
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one?
The IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one (CID 126814924) is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one.
What is the SMILES notation for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one?
The canonical SMILES for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one is Cc1ccc2[nH]c3c(c2c1)CCC(=Cc1cnc2c(c1)c(C)nn2C)C3=O.
What is the InChIKey of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one?
The InChIKey is GCUYASSAOVTZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-12-4-7-19-18(8-12)16-6-5-15(21(27)20(16)24-19)9-14-10-17-13(2)25-26(3)22(17)23-11-14/h4,7-11,24H,5-6H2,1-3H3.
What are the key properties of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one?
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one has a molecular weight of 356.43 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one is sourced from PubChem (CID 126814924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).