N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C22H26ClN5O2 — CID 50749939

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(C3CCCCC3)nn2c1C
InChIInChI=1S/C22H26ClN5O2/c1-13-17(12-20(29)25-18-11-16(23)9-10-19(18)30-3)14(2)28-22(24-13)26-21(27-28)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3,(H,25,29)
InChIKeyIOLMDBKHKWDLCF-UHFFFAOYSA-N
MW427.94 g/mol
LogP4.63
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 50749939) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID50749939
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(C3CCCCC3)nn2c1C
InChIInChI=1S/C22H26ClN5O2/c1-13-17(12-20(29)25-18-11-16(23)9-10-19(18)30-3)14(2)28-22(24-13)26-21(27-28)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3,(H,25,29)
InChIKeyIOLMDBKHKWDLCF-UHFFFAOYSA-N
XLogP4.63
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50750150
N-(5-chloro-2-methylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9046544
N-(2,5-dichlorophenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 17498674
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
5-chloro-N'-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl]-2-methoxybenzohydrazide
CID 24615597
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylpropanamide
CID 55433708
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 55796564
N-(5-chloro-2-methoxyphenyl)-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 60563453
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
CID 50750287
N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide
CID 27444463

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 50749939) is N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(C3CCCCC3)nn2c1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is IOLMDBKHKWDLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-13-17(12-20(29)25-18-11-16(23)9-10-19(18)30-3)14(2)28-22(24-13)26-21(27-28)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3,(H,25,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 427.94 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50749939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).