3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

C24H32N6O3S — CID 26288192

IUPAC3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc([C@H](CNC(=O)CCc2c(C)nc3nc(SC)nn3c2C)N2CCOCC2)cc1
InChIInChI=1S/C24H32N6O3S/c1-16-20(17(2)30-23(26-16)27-24(28-30)34-4)9-10-22(31)25-15-21(29-11-13-33-14-12-29)18-5-7-19(32-3)8-6-18/h5-8,21H,9-15H2,1-4H3,(H,25,31)/t21-/m0/s1
InChIKeyGDBUURZGCWVEAS-NRFANRHFSA-N
MW484.63 g/mol
LogP2.59
Rot. Bonds9

About 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 26288192) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID26288192
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc([C@H](CNC(=O)CCc2c(C)nc3nc(SC)nn3c2C)N2CCOCC2)cc1
InChIInChI=1S/C24H32N6O3S/c1-16-20(17(2)30-23(26-16)27-24(28-30)34-4)9-10-22(31)25-15-21(29-11-13-33-14-12-29)18-5-7-19(32-3)8-6-18/h5-8,21H,9-15H2,1-4H3,(H,25,31)/t21-/m0/s1
InChIKeyGDBUURZGCWVEAS-NRFANRHFSA-N
XLogP2.59
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide with MolForge

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Related Compounds

3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27810795
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31482885
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24624856
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 41138395
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134057490
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31703237
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31325172
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55713099
N-[4-(difluoromethoxy)phenyl]-3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 8777923
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (CID 26288192) is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is COc1ccc([C@H](CNC(=O)CCc2c(C)nc3nc(SC)nn3c2C)N2CCOCC2)cc1.
What is the InChIKey of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is GDBUURZGCWVEAS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-16-20(17(2)30-23(26-16)27-24(28-30)34-4)9-10-22(31)25-15-21(29-11-13-33-14-12-29)18-5-7-19(32-3)8-6-18/h5-8,21H,9-15H2,1-4H3,(H,25,31)/t21-/m0/s1.
What are the key properties of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 484.63 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 26288192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).