1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C20H22N4O — CID 16581526

IUPAC1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cccc4c3CCCC4)cnc21
InChIInChI=1S/C20H22N4O/c1-13(2)24-19-15(12-22-24)10-16(11-21-19)20(25)23-18-9-5-7-14-6-3-4-8-17(14)18/h5,7,9-13H,3-4,6,8H2,1-2H3,(H,23,25)
InChIKeyJEIKMVBMKAADKK-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.14
Rot. Bonds3

About 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 16581526) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID16581526
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cccc4c3CCCC4)cnc21
InChIInChI=1S/C20H22N4O/c1-13(2)24-19-15(12-22-24)10-16(11-21-19)20(25)23-18-9-5-7-14-6-3-4-8-17(14)18/h5,7,9-13H,3-4,6,8H2,1-2H3,(H,23,25)
InChIKeyJEIKMVBMKAADKK-UHFFFAOYSA-N
XLogP4.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 16581526) is 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)Nc3cccc4c3CCCC4)cnc21.
What is the InChIKey of 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JEIKMVBMKAADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13(2)24-19-15(12-22-24)10-16(11-21-19)20(25)23-18-9-5-7-14-6-3-4-8-17(14)18/h5,7,9-13H,3-4,6,8H2,1-2H3,(H,23,25).
What are the key properties of 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 16581526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).