4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole

C21H25N5O2S — CID 155711765

IUPAC4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
SMILESCOc1ccc(CN2CCn3c(-c4nc(C5CC5)cs4)nnc3[C@H]2C)c(OC)c1
InChIInChI=1S/C21H25N5O2S/c1-13-19-23-24-20(21-22-17(12-29-21)14-4-5-14)26(19)9-8-25(13)11-15-6-7-16(27-2)10-18(15)28-3/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyLJRNAUQBRZJINZ-CYBMUJFWSA-N
MW411.53 g/mol
LogP3.87
Rot. Bonds6

About 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole

4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole (PubChem CID 155711765) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
PubChem CID155711765
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
SMILESCOc1ccc(CN2CCn3c(-c4nc(C5CC5)cs4)nnc3[C@H]2C)c(OC)c1
InChIInChI=1S/C21H25N5O2S/c1-13-19-23-24-20(21-22-17(12-29-21)14-4-5-14)26(19)9-8-25(13)11-15-6-7-16(27-2)10-18(15)28-3/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyLJRNAUQBRZJINZ-CYBMUJFWSA-N
XLogP3.87
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole with MolForge

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Related Compounds

2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole
CID 78107619
4-[(8S)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-ethenyl-1,3-thiazole
CID 71550620
4-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2,5-dimethyl-1,3-thiazole
CID 71548645
2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-6-fluoro-1,3-benzothiazole
CID 162686449
7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 158626389
(5R)-4-[(2,4-dimethoxyphenyl)methyl]-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine
CID 89488470
3-[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809393
(2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylazepane
CID 92878118
2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 167430782
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 92554036
1-[(2,4-dimethoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)azepane
CID 46366535
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 831606

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole (CID 155711765) is 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole is COc1ccc(CN2CCn3c(-c4nc(C5CC5)cs4)nnc3[C@H]2C)c(OC)c1.
What is the InChIKey of 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
The InChIKey is LJRNAUQBRZJINZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-13-19-23-24-20(21-22-17(12-29-21)14-4-5-14)26(19)9-8-25(13)11-15-6-7-16(27-2)10-18(15)28-3/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole has a molecular weight of 411.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 155711765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).