7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile

C19H18N4O — CID 167037740

IUPAC7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1ccc2[nH]ncc2c1-c1c2c([nH]c(=O)c1C#N)C(C)(C)CC2
InChIInChI=1S/C19H18N4O/c1-10-4-5-14-13(9-21-23-14)15(10)16-11-6-7-19(2,3)17(11)22-18(24)12(16)8-20/h4-5,9H,6-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySETVTQHZFIQSHC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.32
Rot. Bonds1

About 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile

7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 167037740) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID167037740
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1ccc2[nH]ncc2c1-c1c2c([nH]c(=O)c1C#N)C(C)(C)CC2
InChIInChI=1S/C19H18N4O/c1-10-4-5-14-13(9-21-23-14)15(10)16-11-6-7-19(2,3)17(11)22-18(24)12(16)8-20/h4-5,9H,6-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySETVTQHZFIQSHC-UHFFFAOYSA-N
XLogP3.32
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile 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 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile (CID 167037740) is 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile is Cc1ccc2[nH]ncc2c1-c1c2c([nH]c(=O)c1C#N)C(C)(C)CC2.
What is the InChIKey of 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is SETVTQHZFIQSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-10-4-5-14-13(9-21-23-14)15(10)16-11-6-7-19(2,3)17(11)22-18(24)12(16)8-20/h4-5,9H,6-7H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile?
7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 167037740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).