N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide

C20H19FN4O2 — CID 136521886

IUPACN-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NC1CCc2nnc(-c3ccc(F)cc3)n2C1
InChIInChI=1S/C20H19FN4O2/c21-15-5-3-14(4-6-15)20-24-23-18-10-7-16(12-25(18)20)22-19(27)11-13-1-8-17(26)9-2-13/h1-6,8-9,16,26H,7,10-12H2,(H,22,27)
InChIKeyJJKSUHNWBUYZJU-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.46
Rot. Bonds4

About N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide

N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 136521886) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID136521886
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NC1CCc2nnc(-c3ccc(F)cc3)n2C1
InChIInChI=1S/C20H19FN4O2/c21-15-5-3-14(4-6-15)20-24-23-18-10-7-16(12-25(18)20)22-19(27)11-13-1-8-17(26)9-2-13/h1-6,8-9,16,26H,7,10-12H2,(H,22,27)
InChIKeyJJKSUHNWBUYZJU-UHFFFAOYSA-N
XLogP2.46
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 134793560
2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 134792511
2-(3-fluorophenyl)-N-{[7-(2-hydroxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}acetamide
CID 29149397
4-hydroxy-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]benzamide
CID 155807903
2-[1-(4-methoxyphenyl)ethylamino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 118472582
(3R)-3-[1-(4-methoxyphenyl)ethylamino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 118472607
4-[1-(4-methoxyphenyl)ethylamino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 118472608
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 118476132
3-[1-(4-methoxyphenyl)ethylamino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 123892970
Sitagliptin Coumarate
CID 131733978
ethane;3-[[hydroxy(phenyl)methyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 153347345
4-Hydroxyphenyl Maraviroc
CID 29981966

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide (CID 136521886) is N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)NC1CCc2nnc(-c3ccc(F)cc3)n2C1.
What is the InChIKey of N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is JJKSUHNWBUYZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-15-5-3-14(4-6-15)20-24-23-18-10-7-16(12-25(18)20)22-19(27)11-13-1-8-17(26)9-2-13/h1-6,8-9,16,26H,7,10-12H2,(H,22,27).
What are the key properties of N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide?
N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 366.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 136521886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).