5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

C20H25N7O2 — CID 146047538

IUPAC5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(OCC2CCCN2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C20H25N7O2/c1-28-18-7-15(29-12-13-3-2-6-22-13)4-5-16(18)17-8-19(27-26-17)25-20-11-23-14(9-21)10-24-20/h4-5,7,10-11,13,17,19,22,26-27H,2-3,6,8,12H2,1H3,(H,24,25)
InChIKeyWCBRTNNHZQRMOD-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.46
Rot. Bonds7

About 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 146047538) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID146047538
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(OCC2CCCN2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C20H25N7O2/c1-28-18-7-15(29-12-13-3-2-6-22-13)4-5-16(18)17-8-19(27-26-17)25-20-11-23-14(9-21)10-24-20/h4-5,7,10-11,13,17,19,22,26-27H,2-3,6,8,12H2,1H3,(H,24,25)
InChIKeyWCBRTNNHZQRMOD-UHFFFAOYSA-N
XLogP1.46
TPSA116.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-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 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 146047538) is 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(OCC2CCCN2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1.
What is the InChIKey of 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is WCBRTNNHZQRMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-28-18-7-15(29-12-13-3-2-6-22-13)4-5-16(18)17-8-19(27-26-17)25-20-11-23-14(9-21)10-24-20/h4-5,7,10-11,13,17,19,22,26-27H,2-3,6,8,12H2,1H3,(H,24,25).
What are the key properties of 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 395.47 g/mol, XLogP of 1.46, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-methoxy-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 146047538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).