3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide

C23H18F6N6O2 — CID 166595870

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@@H](O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C23H18F6N6O2/c1-11-2-3-14(12-5-7-35-16(9-12)33-21(30)34-35)18(24)17(11)20(37)32-10-22(25,26)19(36)13-4-6-31-15(8-13)23(27,28)29/h2-9,19,36H,10H2,1H3,(H2,30,34)(H,32,37)/t19-/m0/s1
InChIKeyMVEBCLACXCZCEB-IBGZPJMESA-N
MW524.43 g/mol
LogP3.94
Rot. Bonds6

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide (PubChem CID 166595870) has the molecular formula C23H18F6N6O2 and a molecular weight of 524.43 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-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-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-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide
PubChem CID166595870
Molecular FormulaC23H18F6N6O2
Molecular Weight524.43 g/mol
Exact Mass524.14
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@@H](O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C23H18F6N6O2/c1-11-2-3-14(12-5-7-35-16(9-12)33-21(30)34-35)18(24)17(11)20(37)32-10-22(25,26)19(36)13-4-6-31-15(8-13)23(27,28)29/h2-9,19,36H,10H2,1H3,(H2,30,34)(H,32,37)/t19-/m0/s1
InChIKeyMVEBCLACXCZCEB-IBGZPJMESA-N
XLogP3.94
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.43
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide 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-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-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-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide (CID 166595870) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-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-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-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-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@@H](O)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide?
The InChIKey is MVEBCLACXCZCEB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H18F6N6O2/c1-11-2-3-14(12-5-7-35-16(9-12)33-21(30)34-35)18(24)17(11)20(37)32-10-22(25,26)19(36)13-4-6-31-15(8-13)23(27,28)29/h2-9,19,36H,10H2,1H3,(H2,30,34)(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-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide has a molecular weight of 524.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]propyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 166595870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).