2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine

C22H26N6O — CID 110244047

IUPAC2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(C2CCN(Cc3cc4ccccc4o3)C2)c2nccnc21
InChIInChI=1S/C22H26N6O/c1-26(2)11-12-28-22-21(23-8-9-24-22)20(25-28)17-7-10-27(14-17)15-18-13-16-5-3-4-6-19(16)29-18/h3-6,8-9,13,17H,7,10-12,14-15H2,1-2H3
InChIKeyASCHVYPEEHZFHS-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.12
Rot. Bonds6

About 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine

2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine (PubChem CID 110244047) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine
PubChem CID110244047
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(C2CCN(Cc3cc4ccccc4o3)C2)c2nccnc21
InChIInChI=1S/C22H26N6O/c1-26(2)11-12-28-22-21(23-8-9-24-22)20(25-28)17-7-10-27(14-17)15-18-13-16-5-3-4-6-19(16)29-18/h3-6,8-9,13,17H,7,10-12,14-15H2,1-2H3
InChIKeyASCHVYPEEHZFHS-UHFFFAOYSA-N
XLogP3.12
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine (CID 110244047) is 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine is CN(C)CCn1nc(C2CCN(Cc3cc4ccccc4o3)C2)c2nccnc21.
What is the InChIKey of 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is ASCHVYPEEHZFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26(2)11-12-28-22-21(23-8-9-24-22)20(25-28)17-7-10-27(14-17)15-18-13-16-5-3-4-6-19(16)29-18/h3-6,8-9,13,17H,7,10-12,14-15H2,1-2H3.
What are the key properties of 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine?
2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 390.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 110244047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).