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

C24H21F4N5O2 — CID 166596553

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-methoxypropyl]-2-fluoro-6-methylbenzamide
SMILESCO[C@@H](c1ccc(F)cc1)C(F)(F)CNC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F
InChIInChI=1S/C24H21F4N5O2/c1-13-3-8-17(15-9-10-33-18(11-15)31-23(29)32-33)20(26)19(13)22(34)30-12-24(27,28)21(35-2)14-4-6-16(25)7-5-14/h3-11,21H,12H2,1-2H3,(H2,29,32)(H,30,34)/t21-/m0/s1
InChIKeyGRNPQAUIFHUTSP-NRFANRHFSA-N
MW487.46 g/mol
LogP4.32
Rot. Bonds7

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-methoxypropyl]-2-fluoro-6-methylbenzamide (PubChem CID 166596553) 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-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-methoxypropyl]-2-fluoro-6-methylbenzamide.

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-methoxypropyl]-2-fluoro-6-methylbenzamide
PubChem CID166596553
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-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-methoxypropyl]-2-fluoro-6-methylbenzamide
SMILESCO[C@@H](c1ccc(F)cc1)C(F)(F)CNC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F
InChIInChI=1S/C24H21F4N5O2/c1-13-3-8-17(15-9-10-33-18(11-15)31-23(29)32-33)20(26)19(13)22(34)30-12-24(27,28)21(35-2)14-4-6-16(25)7-5-14/h3-11,21H,12H2,1-2H3,(H2,29,32)(H,30,34)/t21-/m0/s1
InChIKeyGRNPQAUIFHUTSP-NRFANRHFSA-N
XLogP4.32
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
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-methoxypropyl]-2-fluoro-6-methylbenzamide 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)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-methoxypropyl]-2-fluoro-6-methylbenzamide?
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-methoxypropyl]-2-fluoro-6-methylbenzamide (CID 166596553) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-methoxypropyl]-2-fluoro-6-methylbenzamide.
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-methoxypropyl]-2-fluoro-6-methylbenzamide?
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-methoxypropyl]-2-fluoro-6-methylbenzamide is CO[C@@H](c1ccc(F)cc1)C(F)(F)CNC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F.
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-methoxypropyl]-2-fluoro-6-methylbenzamide?
The InChIKey is GRNPQAUIFHUTSP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-13-3-8-17(15-9-10-33-18(11-15)31-23(29)32-33)20(26)19(13)22(34)30-12-24(27,28)21(35-2)14-4-6-16(25)7-5-14/h3-11,21H,12H2,1-2H3,(H2,29,32)(H,30,34)/t21-/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-methoxypropyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-methoxypropyl]-2-fluoro-6-methylbenzamide has a molecular weight of 487.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 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-methoxypropyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 166596553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).