N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C16H25N5O — CID 166632813

IUPACN-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCN)cc(C(C)(C)C)nc21
InChIInChI=1S/C16H25N5O/c1-10(2)21-14-12(9-19-21)11(15(22)18-7-6-17)8-13(20-14)16(3,4)5/h8-10H,6-7,17H2,1-5H3,(H,18,22)
InChIKeyQWYNVAXEGYHATF-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.00
Rot. Bonds4

About N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166632813) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166632813
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCN)cc(C(C)(C)C)nc21
InChIInChI=1S/C16H25N5O/c1-10(2)21-14-12(9-19-21)11(15(22)18-7-6-17)8-13(20-14)16(3,4)5/h8-10H,6-7,17H2,1-5H3,(H,18,22)
InChIKeyQWYNVAXEGYHATF-UHFFFAOYSA-N
XLogP2.00
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 166632813) is N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NCCN)cc(C(C)(C)C)nc21.
What is the InChIKey of N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QWYNVAXEGYHATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-10(2)21-14-12(9-19-21)11(15(22)18-7-6-17)8-13(20-14)16(3,4)5/h8-10H,6-7,17H2,1-5H3,(H,18,22).
What are the key properties of N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-tert-butyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166632813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).