9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine

C25H30FN5O — CID 167502907

IUPAC9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)OCc1cc(-c3cn[nH]c3)c(F)cc1-2)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H30FN5O/c1-24(2)10-17(11-25(3,4)30-24)31(5)22-7-6-18-19-9-21(26)20(16-12-27-28-13-16)8-15(19)14-32-23(18)29-22/h6-9,12-13,17,30H,10-11,14H2,1-5H3,(H,27,28)
InChIKeyZHOGBOZMYOSNDP-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.92
Rot. Bonds3

About 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine

9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 167502907) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID167502907
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)OCc1cc(-c3cn[nH]c3)c(F)cc1-2)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H30FN5O/c1-24(2)10-17(11-25(3,4)30-24)31(5)22-7-6-18-19-9-21(26)20(16-12-27-28-13-16)8-15(19)14-32-23(18)29-22/h6-9,12-13,17,30H,10-11,14H2,1-5H3,(H,27,28)
InChIKeyZHOGBOZMYOSNDP-UHFFFAOYSA-N
XLogP4.92
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine (CID 167502907) is 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine is CN(c1ccc2c(n1)OCc1cc(-c3cn[nH]c3)c(F)cc1-2)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is ZHOGBOZMYOSNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-24(2)10-17(11-25(3,4)30-24)31(5)22-7-6-18-19-9-21(26)20(16-12-27-28-13-16)8-15(19)14-32-23(18)29-22/h6-9,12-13,17,30H,10-11,14H2,1-5H3,(H,27,28).
What are the key properties of 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 435.55 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-N-methyl-8-(1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 167502907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).