1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine

C20H20N4O — CID 71010403

IUPAC1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine
SMILESCC(C)(C)n1nc(Oc2cccc3ccccc23)c2c(N)ccnc21
InChIInChI=1S/C20H20N4O/c1-20(2,3)24-18-17(15(21)11-12-22-18)19(23-24)25-16-10-6-8-13-7-4-5-9-14(13)16/h4-12H,1-3H3,(H2,21,22)
InChIKeySWLQHMUZYDVTNJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.71
Rot. Bonds2

About 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine

1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine (PubChem CID 71010403) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine
PubChem CID71010403
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine
SMILESCC(C)(C)n1nc(Oc2cccc3ccccc23)c2c(N)ccnc21
InChIInChI=1S/C20H20N4O/c1-20(2,3)24-18-17(15(21)11-12-22-18)19(23-24)25-16-10-6-8-13-7-4-5-9-14(13)16/h4-12H,1-3H3,(H2,21,22)
InChIKeySWLQHMUZYDVTNJ-UHFFFAOYSA-N
XLogP4.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine (CID 71010403) is 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine is CC(C)(C)n1nc(Oc2cccc3ccccc23)c2c(N)ccnc21.
What is the InChIKey of 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is SWLQHMUZYDVTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-20(2,3)24-18-17(15(21)11-12-22-18)19(23-24)25-16-10-6-8-13-7-4-5-9-14(13)16/h4-12H,1-3H3,(H2,21,22).
What are the key properties of 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine?
1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 71010403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).