(7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C18H23N5O2S — CID 136880289

IUPAC(7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1C(C)C
InChIInChI=1S/C18H23N5O2S/c1-10(2)15-14(11(3)19-17-21-18(26-5)22-23(15)17)16(24)20-12-8-6-7-9-13(12)25-4/h6-10,15H,1-5H3,(H,20,24)(H,19,21,22)/t15-/m1/s1
InChIKeyFVYIOPLCOPPBNI-OAHLLOKOSA-N
MW373.48 g/mol
LogP3.54
Rot. Bonds5

About (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 136880289) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID136880289
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name(7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1C(C)C
InChIInChI=1S/C18H23N5O2S/c1-10(2)15-14(11(3)19-17-21-18(26-5)22-23(15)17)16(24)20-12-8-6-7-9-13(12)25-4/h6-10,15H,1-5H3,(H,20,24)(H,19,21,22)/t15-/m1/s1
InChIKeyFVYIOPLCOPPBNI-OAHLLOKOSA-N
XLogP3.54
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(7S)-N-(2-methoxyphenyl)-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761828
(7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136753641
(7R)-7-(4-bromophenyl)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761810
7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135419092
(7S)-N-(2-methoxyphenyl)-5-methyl-7-(3-methylphenyl)-2-methylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135830531
(7R)-2-benzylsulfanyl-N-(2-methoxyphenyl)-5-methyl-7-(4-methylsulfanylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136720245
7-(2,3-dimethoxyphenyl)-5-methyl-2-methylsulfanyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135652135
(7R)-7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136810933
(7R)-2-ethylsulfanyl-N-(2-methoxyphenyl)-5-methyl-7-(2-methylpyrazol-3-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135995777
2-benzylsulfanyl-7-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4187242
(7S)-2-ethylsulfanyl-N-(2-methoxyphenyl)-5-methyl-7-(2-methylpyrazol-3-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135995776
(7S)-2-benzylsulfanyl-7-(4-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136883158

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 136880289) is (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1C(C)C.
What is the InChIKey of (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FVYIOPLCOPPBNI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-10(2)15-14(11(3)19-17-21-18(26-5)22-23(15)17)16(24)20-12-8-6-7-9-13(12)25-4/h6-10,15H,1-5H3,(H,20,24)(H,19,21,22)/t15-/m1/s1.
What are the key properties of (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136880289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).