3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine

C14H11N5O — CID 134190173

IUPAC3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
SMILESCc1noc2ccc(Nc3[nH]nc4ncccc34)cc12
InChIInChI=1S/C14H11N5O/c1-8-11-7-9(4-5-12(11)20-19-8)16-14-10-3-2-6-15-13(10)17-18-14/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyFMJQBDRMAKWHII-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.15
Rot. Bonds2

About 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine

3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine (PubChem CID 134190173) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
PubChem CID134190173
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
SMILESCc1noc2ccc(Nc3[nH]nc4ncccc34)cc12
InChIInChI=1S/C14H11N5O/c1-8-11-7-9(4-5-12(11)20-19-8)16-14-10-3-2-6-15-13(10)17-18-14/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyFMJQBDRMAKWHII-UHFFFAOYSA-N
XLogP3.15
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine?
The IUPAC name of 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine (CID 134190173) is 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine?
The canonical SMILES for 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine is Cc1noc2ccc(Nc3[nH]nc4ncccc34)cc12.
What is the InChIKey of 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine?
The InChIKey is FMJQBDRMAKWHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-8-11-7-9(4-5-12(11)20-19-8)16-14-10-3-2-6-15-13(10)17-18-14/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine?
3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine has a molecular weight of 265.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine is sourced from PubChem (CID 134190173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).