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

C18H19N5O — CID 134190218

IUPAC3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCCCC(C)c1noc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C18H19N5O/c1-3-5-11(2)16-13-8-7-12(10-15(13)24-23-16)20-18-14-6-4-9-19-17(14)21-22-18/h4,6-11H,3,5H2,1-2H3,(H2,19,20,21,22)
InChIKeyJLNCXRWHHUIHNZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.75
Rot. Bonds5

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

3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190218) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190218
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCCCC(C)c1noc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C18H19N5O/c1-3-5-11(2)16-13-8-7-12(10-15(13)24-23-16)20-18-14-6-4-9-19-17(14)21-22-18/h4,6-11H,3,5H2,1-2H3,(H2,19,20,21,22)
InChIKeyJLNCXRWHHUIHNZ-UHFFFAOYSA-N
XLogP4.75
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190218) is 3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is CCCC(C)c1noc2cc(Nc3[nH]nc4ncccc34)ccc12.
What is the InChIKey of 3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is JLNCXRWHHUIHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-5-11(2)16-13-8-7-12(10-15(13)24-23-16)20-18-14-6-4-9-19-17(14)21-22-18/h4,6-11H,3,5H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 321.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).