4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile

C24H26N6 — CID 146271665

IUPAC4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCC1CN(c2ccc(C#N)n3nccc23)CC2c3ccc(N4CCCC4)cc3CN12
InChIInChI=1S/C24H26N6/c1-17-14-28(22-7-5-20(13-25)30-23(22)8-9-26-30)16-24-21-6-4-19(27-10-2-3-11-27)12-18(21)15-29(17)24/h4-9,12,17,24H,2-3,10-11,14-16H2,1H3
InChIKeyFMQBPYFHISKXMI-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.57
Rot. Bonds2

About 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile

4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 146271665) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID146271665
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCC1CN(c2ccc(C#N)n3nccc23)CC2c3ccc(N4CCCC4)cc3CN12
InChIInChI=1S/C24H26N6/c1-17-14-28(22-7-5-20(13-25)30-23(22)8-9-26-30)16-24-21-6-4-19(27-10-2-3-11-27)12-18(21)15-29(17)24/h4-9,12,17,24H,2-3,10-11,14-16H2,1H3
InChIKeyFMQBPYFHISKXMI-UHFFFAOYSA-N
XLogP3.57
TPSA50.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-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 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 146271665) is 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile is CC1CN(c2ccc(C#N)n3nccc23)CC2c3ccc(N4CCCC4)cc3CN12.
What is the InChIKey of 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is FMQBPYFHISKXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-17-14-28(22-7-5-20(13-25)30-23(22)8-9-26-30)16-24-21-6-4-19(27-10-2-3-11-27)12-18(21)15-29(17)24/h4-9,12,17,24H,2-3,10-11,14-16H2,1H3.
What are the key properties of 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 398.51 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-8-pyrrolidin-1-yl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146271665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).