(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C23H25N5OS — CID 135877532

IUPAC(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2
InChIInChI=1S/C23H25N5OS/c1-5-30-23-26-22-24-16(4)19(21(29)25-18-9-7-6-8-15(18)3)20(28(22)27-23)17-12-10-14(2)11-13-17/h6-13,20H,5H2,1-4H3,(H,25,29)(H,24,26,27)/t20-/m1/s1
InChIKeyFAPKFEOXUUFZHZ-HXUWFJFHSA-N
MW419.55 g/mol
LogP4.93
Rot. Bonds5

About (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135877532) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135877532
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2
InChIInChI=1S/C23H25N5OS/c1-5-30-23-26-22-24-16(4)19(21(29)25-18-9-7-6-8-15(18)3)20(28(22)27-23)17-12-10-14(2)11-13-17/h6-13,20H,5H2,1-4H3,(H,25,29)(H,24,26,27)/t20-/m1/s1
InChIKeyFAPKFEOXUUFZHZ-HXUWFJFHSA-N
XLogP4.93
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(7R)-7-(4-chlorophenyl)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135877536
2-ethylsulfanyl-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135922267
(7R)-7-(2-ethoxyphenyl)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135877508
5-methyl-N-(2-methylphenyl)-7-(4-nitrophenyl)-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135584394
7-(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135610685
2-[(2-chlorophenyl)methylsulfanyl]-7-(4-ethylphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135663266
(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136762411
2-[(2-chlorophenyl)methylsulfanyl]-7-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135610699
2-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135610775
2-benzylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-propoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135793136
(7S)-2-benzylsulfanyl-N-(2,4-dimethylphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136762450
N-(2,3-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135659993

Frequently Asked Questions

What is the IUPAC name of (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135877532) is (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2.
What is the InChIKey of (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FAPKFEOXUUFZHZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-5-30-23-26-22-24-16(4)19(21(29)25-18-9-7-6-8-15(18)3)20(28(22)27-23)17-12-10-14(2)11-13-17/h6-13,20H,5H2,1-4H3,(H,25,29)(H,24,26,27)/t20-/m1/s1.
What are the key properties of (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135877532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).