3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide

C23H16F7N5O2 — CID 163265758

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESNc1nc2cc(-c3ccc(C(F)(F)F)c(C(=O)NCC(F)(F)[C@@H](O)c4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C23H16F7N5O2/c24-13-3-1-11(2-4-13)19(36)22(26,27)10-32-20(37)17-15(23(28,29)30)6-5-14(18(17)25)12-7-8-35-16(9-12)33-21(31)34-35/h1-9,19,36H,10H2,(H2,31,34)(H,32,37)/t19-/m0/s1
InChIKeyPOZSHWOJVWWMON-IBGZPJMESA-N
MW527.40 g/mol
LogP4.37
Rot. Bonds6

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 163265758) has the molecular formula C23H16F7N5O2 and a molecular weight of 527.40 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID163265758
Molecular FormulaC23H16F7N5O2
Molecular Weight527.40 g/mol
Exact Mass527.12
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESNc1nc2cc(-c3ccc(C(F)(F)F)c(C(=O)NCC(F)(F)[C@@H](O)c4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C23H16F7N5O2/c24-13-3-1-11(2-4-13)19(36)22(26,27)10-32-20(37)17-15(23(28,29)30)6-5-14(18(17)25)12-7-8-35-16(9-12)33-21(31)34-35/h1-9,19,36H,10H2,(H2,31,34)(H,32,37)/t19-/m0/s1
InChIKeyPOZSHWOJVWWMON-IBGZPJMESA-N
XLogP4.37
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.40
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide (CID 163265758) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide is Nc1nc2cc(-c3ccc(C(F)(F)F)c(C(=O)NCC(F)(F)[C@@H](O)c4ccc(F)cc4)c3F)ccn2n1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is POZSHWOJVWWMON-IBGZPJMESA-N. The full InChI is InChI=1S/C23H16F7N5O2/c24-13-3-1-11(2-4-13)19(36)22(26,27)10-32-20(37)17-15(23(28,29)30)6-5-14(18(17)25)12-7-8-35-16(9-12)33-21(31)34-35/h1-9,19,36H,10H2,(H2,31,34)(H,32,37)/t19-/m0/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 527.40 g/mol, XLogP of 4.37, 6 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)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 163265758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).