5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide

C24H21F4N5O2 — CID 166596102

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide
SMILESCc1cc(F)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H21F4N5O2/c1-13-10-19(25)18(15-7-9-33-21(11-15)31-23(29)32-33)12-17(13)22(35)30-8-6-20(34)14-2-4-16(5-3-14)24(26,27)28/h2-5,7,9-12,20,34H,6,8H2,1H3,(H2,29,32)(H,30,35)/t20-/m1/s1
InChIKeyMRYPBXQDXGBARZ-HXUWFJFHSA-N
MW487.46 g/mol
LogP4.30
Rot. Bonds6

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

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide (PubChem CID 166596102) has the molecular formula C24H21F4N5O2 and a molecular weight of 487.46 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide
PubChem CID166596102
Molecular FormulaC24H21F4N5O2
Molecular Weight487.46 g/mol
Exact Mass487.16
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide
SMILESCc1cc(F)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H21F4N5O2/c1-13-10-19(25)18(15-7-9-33-21(11-15)31-23(29)32-33)12-17(13)22(35)30-8-6-20(34)14-2-4-16(5-3-14)24(26,27)28/h2-5,7,9-12,20,34H,6,8H2,1H3,(H2,29,32)(H,30,35)/t20-/m1/s1
InChIKeyMRYPBXQDXGBARZ-HXUWFJFHSA-N
XLogP4.30
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide (CID 166596102) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide is Cc1cc(F)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide?
The InChIKey is MRYPBXQDXGBARZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-13-10-19(25)18(15-7-9-33-21(11-15)31-23(29)32-33)12-17(13)22(35)30-8-6-20(34)14-2-4-16(5-3-14)24(26,27)28/h2-5,7,9-12,20,34H,6,8H2,1H3,(H2,29,32)(H,30,35)/t20-/m1/s1.
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide has a molecular weight of 487.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-fluoro-N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylbenzamide is sourced from PubChem (CID 166596102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).