3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide

C24H21F4N5O2 — CID 163265656

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide
SMILESCCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)C(O)c1ccc(F)cc1
InChIInChI=1S/C24H21F4N5O2/c1-2-13-5-8-17(15-9-10-33-18(11-15)31-23(29)32-33)20(26)19(13)22(35)30-12-24(27,28)21(34)14-3-6-16(25)7-4-14/h3-11,21,34H,2,12H2,1H3,(H2,29,32)(H,30,35)
InChIKeyBBLXXLIAUNMSOZ-UHFFFAOYSA-N
MW487.46 g/mol
LogP3.92
Rot. Bonds7

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide (PubChem CID 163265656) has the molecular formula C24H21F4N5O2 and a molecular weight of 487.46 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide
PubChem CID163265656
Molecular FormulaC24H21F4N5O2
Molecular Weight487.46 g/mol
Exact Mass487.16
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide
SMILESCCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)C(O)c1ccc(F)cc1
InChIInChI=1S/C24H21F4N5O2/c1-2-13-5-8-17(15-9-10-33-18(11-15)31-23(29)32-33)20(26)19(13)22(35)30-12-24(27,28)21(34)14-3-6-16(25)7-4-14/h3-11,21,34H,2,12H2,1H3,(H2,29,32)(H,30,35)
InChIKeyBBLXXLIAUNMSOZ-UHFFFAOYSA-N
XLogP3.92
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide 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-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide (CID 163265656) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide is CCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)C(O)c1ccc(F)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide?
The InChIKey is BBLXXLIAUNMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-2-13-5-8-17(15-9-10-33-18(11-15)31-23(29)32-33)20(26)19(13)22(35)30-12-24(27,28)21(34)14-3-6-16(25)7-4-14/h3-11,21,34H,2,12H2,1H3,(H2,29,32)(H,30,35).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide has a molecular weight of 487.46 g/mol, XLogP of 3.92, 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)-N-[2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide is sourced from PubChem (CID 163265656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).