3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine

C17H16N6O — CID 134189978

IUPAC3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(C5CCCC5)noc4c3)[nH]nc2n1
InChIInChI=1S/C17H16N6O/c1-2-4-10(3-1)14-12-6-5-11(9-13(12)24-23-14)20-17-15-16(21-22-17)19-8-7-18-15/h5-10H,1-4H2,(H2,19,20,21,22)
InChIKeyYBYJCNBWSAQMHK-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.90
Rot. Bonds3

About 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine

3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134189978) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134189978
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(C5CCCC5)noc4c3)[nH]nc2n1
InChIInChI=1S/C17H16N6O/c1-2-4-10(3-1)14-12-6-5-11(9-13(12)24-23-14)20-17-15-16(21-22-17)19-8-7-18-15/h5-10H,1-4H2,(H2,19,20,21,22)
InChIKeyYBYJCNBWSAQMHK-UHFFFAOYSA-N
XLogP3.90
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine (CID 134189978) is 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine is c1cnc2c(Nc3ccc4c(C5CCCC5)noc4c3)[nH]nc2n1.
What is the InChIKey of 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is YBYJCNBWSAQMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-2-4-10(3-1)14-12-6-5-11(9-13(12)24-23-14)20-17-15-16(21-22-17)19-8-7-18-15/h5-10H,1-4H2,(H2,19,20,21,22).
What are the key properties of 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine?
3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 320.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134189978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).