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

C17H12F2N4O — CID 135458165

IUPAC3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c2n1
InChIInChI=1S/C17H12F2N4O/c1-20-14-6-5-10-11(7-21-17(10)23-14)16-12(8-22-24-16)9-3-2-4-13(18)15(9)19/h2-8H,1H3,(H2,20,21,23)
InChIKeyFHLWAABXEHZHDD-UHFFFAOYSA-N
MW326.31 g/mol
LogP4.20
Rot. Bonds3

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

3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 135458165) has the molecular formula C17H12F2N4O and a molecular weight of 326.31 g/mol. Its IUPAC name is 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID135458165
Molecular FormulaC17H12F2N4O
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c2n1
InChIInChI=1S/C17H12F2N4O/c1-20-14-6-5-10-11(7-21-17(10)23-14)16-12(8-22-24-16)9-3-2-4-13(18)15(9)19/h2-8H,1H3,(H2,20,21,23)
InChIKeyFHLWAABXEHZHDD-UHFFFAOYSA-N
XLogP4.20
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 135458165) is 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is CNc1ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c2n1.
What is the InChIKey of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is FHLWAABXEHZHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O/c1-20-14-6-5-10-11(7-21-17(10)23-14)16-12(8-22-24-16)9-3-2-4-13(18)15(9)19/h2-8H,1H3,(H2,20,21,23).
What are the key properties of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 326.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 135458165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).