2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine

C21H27N5 — CID 110242114

IUPAC2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(C2CCN(Cc3ccccc3)C2)c2cccnc21
InChIInChI=1S/C21H27N5/c1-24(2)13-14-26-21-19(9-6-11-22-21)20(23-26)18-10-12-25(16-18)15-17-7-4-3-5-8-17/h3-9,11,18H,10,12-16H2,1-2H3
InChIKeyQUCYDMVADICKGL-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.98
Rot. Bonds6

About 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine

2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 110242114) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID110242114
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(C2CCN(Cc3ccccc3)C2)c2cccnc21
InChIInChI=1S/C21H27N5/c1-24(2)13-14-26-21-19(9-6-11-22-21)20(23-26)18-10-12-25(16-18)15-17-7-4-3-5-8-17/h3-9,11,18H,10,12-16H2,1-2H3
InChIKeyQUCYDMVADICKGL-UHFFFAOYSA-N
XLogP2.98
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine (CID 110242114) is 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine is CN(C)CCn1nc(C2CCN(Cc3ccccc3)C2)c2cccnc21.
What is the InChIKey of 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is QUCYDMVADICKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-24(2)13-14-26-21-19(9-6-11-22-21)20(23-26)18-10-12-25(16-18)15-17-7-4-3-5-8-17/h3-9,11,18H,10,12-16H2,1-2H3.
What are the key properties of 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 349.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 110242114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).