3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine

C17H13F2N5O — CID 59832209

IUPAC3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine
SMILESCN(C)c1ccc2c(-c3oncc3-c3cccc(F)c3F)[nH]nc2n1
InChIInChI=1S/C17H13F2N5O/c1-24(2)13-7-6-10-15(22-23-17(10)21-13)16-11(8-20-25-16)9-4-3-5-12(18)14(9)19/h3-8H,1-2H3,(H,21,22,23)
InChIKeyLMEJZDPPLPIKSC-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.62
Rot. Bonds3

About 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine

3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine (PubChem CID 59832209) has the molecular formula C17H13F2N5O and a molecular weight of 341.32 g/mol. Its IUPAC name is 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound Name3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine
PubChem CID59832209
Molecular FormulaC17H13F2N5O
Molecular Weight341.32 g/mol
Exact Mass341.11
IUPAC Name3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine
SMILESCN(C)c1ccc2c(-c3oncc3-c3cccc(F)c3F)[nH]nc2n1
InChIInChI=1S/C17H13F2N5O/c1-24(2)13-7-6-10-15(22-23-17(10)21-13)16-11(8-20-25-16)9-4-3-5-12(18)14(9)19/h3-8H,1-2H3,(H,21,22,23)
InChIKeyLMEJZDPPLPIKSC-UHFFFAOYSA-N
XLogP3.62
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine?
The IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine (CID 59832209) is 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine is CN(C)c1ccc2c(-c3oncc3-c3cccc(F)c3F)[nH]nc2n1.
What is the InChIKey of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine?
The InChIKey is LMEJZDPPLPIKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O/c1-24(2)13-7-6-10-15(22-23-17(10)21-13)16-11(8-20-25-16)9-4-3-5-12(18)14(9)19/h3-8H,1-2H3,(H,21,22,23).
What are the key properties of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine?
3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine has a molecular weight of 341.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 59832209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).