7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C20H22F2N6O2 — CID 177042748

IUPAC7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(N3CCC(F)(F)CC3)nc2c(C(N)=O)c1N
InChIInChI=1S/C20H22F2N6O2/c1-10-3-4-13(29)11(2)14(10)12-9-28-18(15(16(12)23)17(24)30)25-19(26-28)27-7-5-20(21,22)6-8-27/h3-4,9,29H,5-8,23H2,1-2H3,(H2,24,30)
InChIKeyJMMZJAMCJPZOHA-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.64
Rot. Bonds3

About 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 177042748) has the molecular formula C20H22F2N6O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID177042748
Molecular FormulaC20H22F2N6O2
Molecular Weight416.43 g/mol
Exact Mass416.18
IUPAC Name7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(N3CCC(F)(F)CC3)nc2c(C(N)=O)c1N
InChIInChI=1S/C20H22F2N6O2/c1-10-3-4-13(29)11(2)14(10)12-9-28-18(15(16(12)23)17(24)30)25-19(26-28)27-7-5-20(21,22)6-8-27/h3-4,9,29H,5-8,23H2,1-2H3,(H2,24,30)
InChIKeyJMMZJAMCJPZOHA-UHFFFAOYSA-N
XLogP2.64
TPSA122.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide with MolForge

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Related Compounds

(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 4884002
3-[2-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-4-hydroxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 118737072
3-[[4-Amino-3-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one
CID 58008563
3-[[4-Amino-3-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58008779
3-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58008818
3-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one
CID 58009009
3-[[4-Amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58009085
3-[[4-Amino-3-(3-fluoro-4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one
CID 135979101
[2-Ethyl-3-(4-fluoro-phenyl)-pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-phenyl)-methanone
CID 1447960
[2-Ethyl-3-(4-fluoro-phenyl)-pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methyl-phenyl)-methanone
CID 1447962
(2-Hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 7998007
[1-(4-Fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 16375873

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 177042748) is 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cc1ccc(O)c(C)c1-c1cn2nc(N3CCC(F)(F)CC3)nc2c(C(N)=O)c1N.
What is the InChIKey of 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is JMMZJAMCJPZOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O2/c1-10-3-4-13(29)11(2)14(10)12-9-28-18(15(16(12)23)17(24)30)25-19(26-28)27-7-5-20(21,22)6-8-27/h3-4,9,29H,5-8,23H2,1-2H3,(H2,24,30).
What are the key properties of 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).