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

C14H10FN5O — CID 134190225

IUPAC7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
SMILESCc1noc2c(F)cc(Nc3[nH]nc4ncccc34)cc12
InChIInChI=1S/C14H10FN5O/c1-7-10-5-8(6-11(15)12(10)21-20-7)17-14-9-3-2-4-16-13(9)18-19-14/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyCMKYFVFTNIFSHB-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.29
Rot. Bonds2

About 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine

7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine (PubChem CID 134190225) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
PubChem CID134190225
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC Name7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
SMILESCc1noc2c(F)cc(Nc3[nH]nc4ncccc34)cc12
InChIInChI=1S/C14H10FN5O/c1-7-10-5-8(6-11(15)12(10)21-20-7)17-14-9-3-2-4-16-13(9)18-19-14/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyCMKYFVFTNIFSHB-UHFFFAOYSA-N
XLogP3.29
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine?
The IUPAC name of 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine (CID 134190225) is 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine.
What is the SMILES notation for 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine?
The canonical SMILES for 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine is Cc1noc2c(F)cc(Nc3[nH]nc4ncccc34)cc12.
What is the InChIKey of 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine?
The InChIKey is CMKYFVFTNIFSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c1-7-10-5-8(6-11(15)12(10)21-20-7)17-14-9-3-2-4-16-13(9)18-19-14/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine?
7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine has a molecular weight of 283.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine is sourced from PubChem (CID 134190225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).