N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

C24H24N4O2 — CID 176939067

IUPACN-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESCC(C)(CO)c1cccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)c1
InChIInChI=1S/C24H24N4O2/c1-24(2,15-29)20-4-3-5-21(14-20)27-23(30)12-17-6-8-18(9-7-17)19-10-11-28-22(13-19)25-16-26-28/h3-11,13-14,16,29H,12,15H2,1-2H3,(H,27,30)
InChIKeyQNRVJNOCHHACMX-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.85
Rot. Bonds6

About N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (PubChem CID 176939067) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
PubChem CID176939067
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESCC(C)(CO)c1cccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)c1
InChIInChI=1S/C24H24N4O2/c1-24(2,15-29)20-4-3-5-21(14-20)27-23(30)12-17-6-8-18(9-7-17)19-10-11-28-22(13-19)25-16-26-28/h3-11,13-14,16,29H,12,15H2,1-2H3,(H,27,30)
InChIKeyQNRVJNOCHHACMX-UHFFFAOYSA-N
XLogP3.85
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939227
N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939050
N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939143
N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939094
N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939269
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939083
propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate
CID 176939177
2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 176939255
N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939309
N-[3-(1,1-difluoroethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 160935018
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
CID 176939197
2-[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 68542885

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (CID 176939067) is N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is CC(C)(CO)c1cccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)c1.
What is the InChIKey of N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The InChIKey is QNRVJNOCHHACMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-24(2,15-29)20-4-3-5-21(14-20)27-23(30)12-17-6-8-18(9-7-17)19-10-11-28-22(13-19)25-16-26-28/h3-11,13-14,16,29H,12,15H2,1-2H3,(H,27,30).
What are the key properties of N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is sourced from PubChem (CID 176939067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).