N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

C16H23N5 — CID 105363779

IUPACN-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NC3CCN4CCC3C4)cnc21
InChIInChI=1S/C16H23N5/c1-11(2)21-16-13(8-18-21)7-14(9-17-16)19-15-4-6-20-5-3-12(15)10-20/h7-9,11-12,15,19H,3-6,10H2,1-2H3
InChIKeyVWWRPOWWPLYKEG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.52
Rot. Bonds3

About N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 105363779) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID105363779
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NC3CCN4CCC3C4)cnc21
InChIInChI=1S/C16H23N5/c1-11(2)21-16-13(8-18-21)7-14(9-17-16)19-15-4-6-20-5-3-12(15)10-20/h7-9,11-12,15,19H,3-6,10H2,1-2H3
InChIKeyVWWRPOWWPLYKEG-UHFFFAOYSA-N
XLogP2.52
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (CID 105363779) is N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is CC(C)n1ncc2cc(NC3CCN4CCC3C4)cnc21.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is VWWRPOWWPLYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11(2)21-16-13(8-18-21)7-14(9-17-16)19-15-4-6-20-5-3-12(15)10-20/h7-9,11-12,15,19H,3-6,10H2,1-2H3.
What are the key properties of N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 285.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 105363779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).