1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile

C19H22N4O2 — CID 131690998

IUPAC1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCN1C(=O)c2cccnc2C12CCN(C(=O)C1(C#N)CCCC1)CC2
InChIInChI=1S/C19H22N4O2/c1-22-16(24)14-5-4-10-21-15(14)19(22)8-11-23(12-9-19)17(25)18(13-20)6-2-3-7-18/h4-5,10H,2-3,6-9,11-12H2,1H3
InChIKeyORCNLAVUBLTHMV-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.07
Rot. Bonds1

About 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile

1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 131690998) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile
PubChem CID131690998
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCN1C(=O)c2cccnc2C12CCN(C(=O)C1(C#N)CCCC1)CC2
InChIInChI=1S/C19H22N4O2/c1-22-16(24)14-5-4-10-21-15(14)19(22)8-11-23(12-9-19)17(25)18(13-20)6-2-3-7-18/h4-5,10H,2-3,6-9,11-12H2,1H3
InChIKeyORCNLAVUBLTHMV-UHFFFAOYSA-N
XLogP2.07
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-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 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile (CID 131690998) is 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile is CN1C(=O)c2cccnc2C12CCN(C(=O)C1(C#N)CCCC1)CC2.
What is the InChIKey of 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is ORCNLAVUBLTHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-16(24)14-5-4-10-21-15(14)19(22)8-11-23(12-9-19)17(25)18(13-20)6-2-3-7-18/h4-5,10H,2-3,6-9,11-12H2,1H3.
What are the key properties of 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile?
1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 131690998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).