1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C15H21N5O — CID 23400329

IUPAC1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2nc(CCN3CCCC3)c(C(N)=O)cc12
InChIInChI=1S/C15H21N5O/c1-10-11-9-12(14(16)21)13(17-15(11)19(2)18-10)5-8-20-6-3-4-7-20/h9H,3-8H2,1-2H3,(H2,16,21)
InChIKeyZWESSKJXZYWBFB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.01
Rot. Bonds4

About 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 23400329) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID23400329
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2nc(CCN3CCCC3)c(C(N)=O)cc12
InChIInChI=1S/C15H21N5O/c1-10-11-9-12(14(16)21)13(17-15(11)19(2)18-10)5-8-20-6-3-4-7-20/h9H,3-8H2,1-2H3,(H2,16,21)
InChIKeyZWESSKJXZYWBFB-UHFFFAOYSA-N
XLogP1.01
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 23400329) is 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2nc(CCN3CCCC3)c(C(N)=O)cc12.
What is the InChIKey of 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZWESSKJXZYWBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-11-9-12(14(16)21)13(17-15(11)19(2)18-10)5-8-20-6-3-4-7-20/h9H,3-8H2,1-2H3,(H2,16,21).
What are the key properties of 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 23400329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).