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

C24H20F5N5O2 — CID 166595659

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide
SMILESC[C@](O)(c1ccc(F)cc1)[C@H](F)CNC(=O)c1c(C(F)F)ccc(-c2ccn3nc(N)nc3c2)c1F
InChIInChI=1S/C24H20F5N5O2/c1-24(36,13-2-4-14(25)5-3-13)17(26)11-31-22(35)19-16(21(28)29)7-6-15(20(19)27)12-8-9-34-18(10-12)32-23(30)33-34/h2-10,17,21,36H,11H2,1H3,(H2,30,33)(H,31,35)/t17-,24+/m1/s1
InChIKeyGQVHRJHJTSLMII-OSPHWJPCSA-N
MW505.45 g/mol
LogP4.17
Rot. Bonds7

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide (PubChem CID 166595659) has the molecular formula C24H20F5N5O2 and a molecular weight of 505.45 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide
PubChem CID166595659
Molecular FormulaC24H20F5N5O2
Molecular Weight505.45 g/mol
Exact Mass505.15
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide
SMILESC[C@](O)(c1ccc(F)cc1)[C@H](F)CNC(=O)c1c(C(F)F)ccc(-c2ccn3nc(N)nc3c2)c1F
InChIInChI=1S/C24H20F5N5O2/c1-24(36,13-2-4-14(25)5-3-13)17(26)11-31-22(35)19-16(21(28)29)7-6-15(20(19)27)12-8-9-34-18(10-12)32-23(30)33-34/h2-10,17,21,36H,11H2,1H3,(H2,30,33)(H,31,35)/t17-,24+/m1/s1
InChIKeyGQVHRJHJTSLMII-OSPHWJPCSA-N
XLogP4.17
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-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)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide (CID 166595659) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-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)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide is C[C@](O)(c1ccc(F)cc1)[C@H](F)CNC(=O)c1c(C(F)F)ccc(-c2ccn3nc(N)nc3c2)c1F.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide?
The InChIKey is GQVHRJHJTSLMII-OSPHWJPCSA-N. The full InChI is InChI=1S/C24H20F5N5O2/c1-24(36,13-2-4-14(25)5-3-13)17(26)11-31-22(35)19-16(21(28)29)7-6-15(20(19)27)12-8-9-34-18(10-12)32-23(30)33-34/h2-10,17,21,36H,11H2,1H3,(H2,30,33)(H,31,35)/t17-,24+/m1/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide has a molecular weight of 505.45 g/mol, XLogP of 4.17, 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)-6-(difluoromethyl)-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutyl]benzamide is sourced from PubChem (CID 166595659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).