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

C18H24N6O — CID 110242328

IUPAC2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide
SMILESO=C(CC1C=CCC1)NCCn1nc(C2CCNC2)c2nccnc21
InChIInChI=1S/C18H24N6O/c25-15(11-13-3-1-2-4-13)20-9-10-24-18-17(21-7-8-22-18)16(23-24)14-5-6-19-12-14/h1,3,7-8,13-14,19H,2,4-6,9-12H2,(H,20,25)
InChIKeyMFAMTUZWEJBYPE-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.38
Rot. Bonds6

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

2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide (PubChem CID 110242328) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide
PubChem CID110242328
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide
SMILESO=C(CC1C=CCC1)NCCn1nc(C2CCNC2)c2nccnc21
InChIInChI=1S/C18H24N6O/c25-15(11-13-3-1-2-4-13)20-9-10-24-18-17(21-7-8-22-18)16(23-24)14-5-6-19-12-14/h1,3,7-8,13-14,19H,2,4-6,9-12H2,(H,20,25)
InChIKeyMFAMTUZWEJBYPE-UHFFFAOYSA-N
XLogP1.38
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide (CID 110242328) is 2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide is O=C(CC1C=CCC1)NCCn1nc(C2CCNC2)c2nccnc21.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide?
The InChIKey is MFAMTUZWEJBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-15(11-13-3-1-2-4-13)20-9-10-24-18-17(21-7-8-22-18)16(23-24)14-5-6-19-12-14/h1,3,7-8,13-14,19H,2,4-6,9-12H2,(H,20,25).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide?
2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 110242328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).