3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine

C16H13FN4 — CID 161472826

IUPAC3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine
SMILESCC1=NCc2ccc(NC3=NCc4ncc(F)cc43)cc21
InChIInChI=1S/C16H13FN4/c1-9-13-5-12(3-2-10(13)6-18-9)21-16-14-4-11(17)7-19-15(14)8-20-16/h2-5,7H,6,8H2,1H3,(H,20,21)
InChIKeyGNGFQLVAKUZQRY-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.92
Rot. Bonds1

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

3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine (PubChem CID 161472826) has the molecular formula C16H13FN4 and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine
PubChem CID161472826
Molecular FormulaC16H13FN4
Molecular Weight280.31 g/mol
Exact Mass280.11
IUPAC Name3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine
SMILESCC1=NCc2ccc(NC3=NCc4ncc(F)cc43)cc21
InChIInChI=1S/C16H13FN4/c1-9-13-5-12(3-2-10(13)6-18-9)21-16-14-4-11(17)7-19-15(14)8-20-16/h2-5,7H,6,8H2,1H3,(H,20,21)
InChIKeyGNGFQLVAKUZQRY-UHFFFAOYSA-N
XLogP2.92
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine?
The IUPAC name of 3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine (CID 161472826) is 3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine is CC1=NCc2ccc(NC3=NCc4ncc(F)cc43)cc21.
What is the InChIKey of 3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine?
The InChIKey is GNGFQLVAKUZQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4/c1-9-13-5-12(3-2-10(13)6-18-9)21-16-14-4-11(17)7-19-15(14)8-20-16/h2-5,7H,6,8H2,1H3,(H,20,21).
What are the key properties of 3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine?
3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine has a molecular weight of 280.31 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 161472826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).