N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C15H23N5O — CID 166635571

IUPACN-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C15H23N5O/c1-10(2)20-14-13(9-17-20)12(8-11(3)18-14)15(21)16-6-7-19(4)5/h8-10H,6-7H2,1-5H3,(H,16,21)
InChIKeyMCUJONVLEFXMRM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 166635571) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID166635571
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C15H23N5O/c1-10(2)20-14-13(9-17-20)12(8-11(3)18-14)15(21)16-6-7-19(4)5/h8-10H,6-7H2,1-5H3,(H,16,21)
InChIKeyMCUJONVLEFXMRM-UHFFFAOYSA-N
XLogP1.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 166635571) is N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCN(C)C)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is MCUJONVLEFXMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10(2)20-14-13(9-17-20)12(8-11(3)18-14)15(21)16-6-7-19(4)5/h8-10H,6-7H2,1-5H3,(H,16,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166635571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).