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

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Related Compounds

Prexasertib
CID 46700756
Chk1-IN-5
CID 130299459
US10010547, Example 123
CID 146047625
US10010547, Example 4
CID 146047508
US10010547, Example 9
CID 146047513
US10010547, Example 14
CID 146047518
US10010547, Example 15
CID 146047519
US10010547, Example 16
CID 146047520
US10010547, Example 18
CID 146047522
US10010547, Example 19
CID 146047523
US10010547, Example 28
CID 146047532
US10010547, Example 29
CID 146047533

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).