N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine

C18H18N4O — CID 134190046

IUPACN-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCC(C)(C)c1coc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C18H18N4O/c1-18(2,3)14-10-23-15-9-11(6-7-12(14)15)20-17-13-5-4-8-19-16(13)21-22-17/h4-10H,1-3H3,(H2,19,20,21,22)
InChIKeyFEGFJJWQSKUQBH-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.75
Rot. Bonds2

About N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine

N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 134190046) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID134190046
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCC(C)(C)c1coc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C18H18N4O/c1-18(2,3)14-10-23-15-9-11(6-7-12(14)15)20-17-13-5-4-8-19-16(13)21-22-17/h4-10H,1-3H3,(H2,19,20,21,22)
InChIKeyFEGFJJWQSKUQBH-UHFFFAOYSA-N
XLogP4.75
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 134190046) is N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine is CC(C)(C)c1coc2cc(Nc3[nH]nc4ncccc34)ccc12.
What is the InChIKey of N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is FEGFJJWQSKUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-18(2,3)14-10-23-15-9-11(6-7-12(14)15)20-17-13-5-4-8-19-16(13)21-22-17/h4-10H,1-3H3,(H2,19,20,21,22).
What are the key properties of N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 306.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 134190046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).