4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide

C22H24F3N5O2 — CID 98065995

IUPAC4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide
SMILESCOCc1ccc(C(=O)NCC2CCC(c3ccnc4nc(C(F)(F)F)nn34)CC2)cc1
InChIInChI=1S/C22H24F3N5O2/c1-32-13-15-4-8-17(9-5-15)19(31)27-12-14-2-6-16(7-3-14)18-10-11-26-21-28-20(22(23,24)25)29-30(18)21/h4-5,8-11,14,16H,2-3,6-7,12-13H2,1H3,(H,27,31)
InChIKeyWNESVHWKZCADQQ-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.99
Rot. Bonds6

About 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide

4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide (PubChem CID 98065995) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide
PubChem CID98065995
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide
SMILESCOCc1ccc(C(=O)NCC2CCC(c3ccnc4nc(C(F)(F)F)nn34)CC2)cc1
InChIInChI=1S/C22H24F3N5O2/c1-32-13-15-4-8-17(9-5-15)19(31)27-12-14-2-6-16(7-3-14)18-10-11-26-21-28-20(22(23,24)25)29-30(18)21/h4-5,8-11,14,16H,2-3,6-7,12-13H2,1H3,(H,27,31)
InChIKeyWNESVHWKZCADQQ-UHFFFAOYSA-N
XLogP3.99
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide
CID 98065966
2-thiophen-3-yl-1-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 110214093
3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one
CID 95797657
7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
CID 46737117
N-(cyclopropylmethyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 146461232
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
CID 92570131
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-(methoxymethyl)benzamide
CID 49097595

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide (CID 98065995) is 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide is COCc1ccc(C(=O)NCC2CCC(c3ccnc4nc(C(F)(F)F)nn34)CC2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide?
The InChIKey is WNESVHWKZCADQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-32-13-15-4-8-17(9-5-15)19(31)27-12-14-2-6-16(7-3-14)18-10-11-26-21-28-20(22(23,24)25)29-30(18)21/h4-5,8-11,14,16H,2-3,6-7,12-13H2,1H3,(H,27,31).
What are the key properties of 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide?
4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide has a molecular weight of 447.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 98065995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).