3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide

C24H19F6N5O2 — CID 163265520

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)C(O)(c1ccc(F)cc1)C(F)F
InChIInChI=1S/C24H19F6N5O2/c1-12-2-7-16(13-8-9-35-17(10-13)33-22(31)34-35)19(26)18(12)20(36)32-11-23(29,30)24(37,21(27)28)14-3-5-15(25)6-4-14/h2-10,21,37H,11H2,1H3,(H2,31,34)(H,32,36)
InChIKeyIDYWYWMLLZTBSA-UHFFFAOYSA-N
MW523.44 g/mol
LogP4.08
Rot. Bonds7

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide (PubChem CID 163265520) has the molecular formula C24H19F6N5O2 and a molecular weight of 523.44 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide
PubChem CID163265520
Molecular FormulaC24H19F6N5O2
Molecular Weight523.44 g/mol
Exact Mass523.14
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)C(O)(c1ccc(F)cc1)C(F)F
InChIInChI=1S/C24H19F6N5O2/c1-12-2-7-16(13-8-9-35-17(10-13)33-22(31)34-35)19(26)18(12)20(36)32-11-23(29,30)24(37,21(27)28)14-3-5-15(25)6-4-14/h2-10,21,37H,11H2,1H3,(H2,31,34)(H,32,36)
InChIKeyIDYWYWMLLZTBSA-UHFFFAOYSA-N
XLogP4.08
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.44
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide (CID 163265520) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)C(O)(c1ccc(F)cc1)C(F)F.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide?
The InChIKey is IDYWYWMLLZTBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N5O2/c1-12-2-7-16(13-8-9-35-17(10-13)33-22(31)34-35)19(26)18(12)20(36)32-11-23(29,30)24(37,21(27)28)14-3-5-15(25)6-4-14/h2-10,21,37H,11H2,1H3,(H2,31,34)(H,32,36).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide has a molecular weight of 523.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-6-methyl-N-[2,2,4,4-tetrafluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide is sourced from PubChem (CID 163265520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).