N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide

C18H20N6O — CID 110242274

IUPACN-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(C2CCNC2)c2nccnc21)c1ccccc1
InChIInChI=1S/C18H20N6O/c25-18(13-4-2-1-3-5-13)22-10-11-24-17-16(20-8-9-21-17)15(23-24)14-6-7-19-12-14/h1-5,8-9,14,19H,6-7,10-12H2,(H,22,25)
InChIKeyIHTVYRSRZCSGBA-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide

N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide (PubChem CID 110242274) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
PubChem CID110242274
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(C2CCNC2)c2nccnc21)c1ccccc1
InChIInChI=1S/C18H20N6O/c25-18(13-4-2-1-3-5-13)22-10-11-24-17-16(20-8-9-21-17)15(23-24)14-6-7-19-12-14/h1-5,8-9,14,19H,6-7,10-12H2,(H,22,25)
InChIKeyIHTVYRSRZCSGBA-UHFFFAOYSA-N
XLogP1.33
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide (CID 110242274) is N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide is O=C(NCCn1nc(C2CCNC2)c2nccnc21)c1ccccc1.
What is the InChIKey of N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide?
The InChIKey is IHTVYRSRZCSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18(13-4-2-1-3-5-13)22-10-11-24-17-16(20-8-9-21-17)15(23-24)14-6-7-19-12-14/h1-5,8-9,14,19H,6-7,10-12H2,(H,22,25).
What are the key properties of N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide?
N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 110242274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).