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

C24H21F4N5O2 — CID 166596576

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H21F4N5O2/c1-13-2-7-17(15-9-11-33-19(12-15)31-23(29)32-33)21(25)20(13)22(35)30-10-8-18(34)14-3-5-16(6-4-14)24(26,27)28/h2-7,9,11-12,18,34H,8,10H2,1H3,(H2,29,32)(H,30,35)
InChIKeyNKNSMRWBHMCQTM-UHFFFAOYSA-N
MW487.46 g/mol
LogP4.30
Rot. Bonds6

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide (PubChem CID 166596576) 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)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide
PubChem CID166596576
Molecular FormulaC24H21F4N5O2
Molecular Weight487.46 g/mol
Exact Mass487.16
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H21F4N5O2/c1-13-2-7-17(15-9-11-33-19(12-15)31-23(29)32-33)21(25)20(13)22(35)30-10-8-18(34)14-3-5-16(6-4-14)24(26,27)28/h2-7,9,11-12,18,34H,8,10H2,1H3,(H2,29,32)(H,30,35)
InChIKeyNKNSMRWBHMCQTM-UHFFFAOYSA-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 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide (CID 166596576) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide?
The InChIKey is NKNSMRWBHMCQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-13-2-7-17(15-9-11-33-19(12-15)31-23(29)32-33)21(25)20(13)22(35)30-10-8-18(34)14-3-5-16(6-4-14)24(26,27)28/h2-7,9,11-12,18,34H,8,10H2,1H3,(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)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-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 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-6-methylbenzamide is sourced from PubChem (CID 166596576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).