2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile

C19H20N6 — CID 95979126

IUPAC2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CNC[C@H]2CCCN2c2cccnn2)cn2ccccc12
InChIInChI=1S/C19H20N6/c20-11-17-15(14-24-9-2-1-6-18(17)24)12-21-13-16-5-4-10-25(16)19-7-3-8-22-23-19/h1-3,6-9,14,16,21H,4-5,10,12-13H2/t16-/m1/s1
InChIKeyZNGPTZDEJOVVIC-MRXNPFEDSA-N
MW332.41 g/mol
LogP2.36
Rot. Bonds5

About 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile

2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile (PubChem CID 95979126) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile
PubChem CID95979126
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CNC[C@H]2CCCN2c2cccnn2)cn2ccccc12
InChIInChI=1S/C19H20N6/c20-11-17-15(14-24-9-2-1-6-18(17)24)12-21-13-16-5-4-10-25(16)19-7-3-8-22-23-19/h1-3,6-9,14,16,21H,4-5,10,12-13H2/t16-/m1/s1
InChIKeyZNGPTZDEJOVVIC-MRXNPFEDSA-N
XLogP2.36
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-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 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile (CID 95979126) is 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile is N#Cc1c(CNC[C@H]2CCCN2c2cccnn2)cn2ccccc12.
What is the InChIKey of 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile?
The InChIKey is ZNGPTZDEJOVVIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N6/c20-11-17-15(14-24-9-2-1-6-18(17)24)12-21-13-16-5-4-10-25(16)19-7-3-8-22-23-19/h1-3,6-9,14,16,21H,4-5,10,12-13H2/t16-/m1/s1.
What are the key properties of 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile?
2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile has a molecular weight of 332.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 95979126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).