6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C15H21N5O — CID 119449551

IUPAC6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCNC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C15H21N5O/c1-9(2)20-14-13(8-17-20)12(6-10(3)18-14)15(21)19-11-4-5-16-7-11/h6,8-9,11,16H,4-5,7H2,1-3H3,(H,19,21)
InChIKeyXXXUBGALMVQKLD-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.41
Rot. Bonds3

About 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 119449551) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID119449551
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCNC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C15H21N5O/c1-9(2)20-14-13(8-17-20)12(6-10(3)18-14)15(21)19-11-4-5-16-7-11/h6,8-9,11,16H,4-5,7H2,1-3H3,(H,19,21)
InChIKeyXXXUBGALMVQKLD-UHFFFAOYSA-N
XLogP1.41
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 119449551) is 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCNC2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is XXXUBGALMVQKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(2)20-14-13(8-17-20)12(6-10(3)18-14)15(21)19-11-4-5-16-7-11/h6,8-9,11,16H,4-5,7H2,1-3H3,(H,19,21).
What are the key properties of 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119449551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).