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

C19H17F2N5OS — CID 155711731

IUPAC[(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone
SMILESC[C@@H]1c2nnc(-c3csc(C4CC4)n3)n2CCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N5OS/c1-10-16-23-24-17(15-9-28-18(22-15)11-2-3-11)26(16)7-6-25(10)19(27)12-4-5-13(20)14(21)8-12/h4-5,8-11H,2-3,6-7H2,1H3/t10-/m1/s1
InChIKeySXORZSOLSGOBBU-SNVBAGLBSA-N
MW401.44 g/mol
LogP3.77
Rot. Bonds3

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

[(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone (PubChem CID 155711731) has the molecular formula C19H17F2N5OS and a molecular weight of 401.44 g/mol. Its IUPAC name is [(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone
PubChem CID155711731
Molecular FormulaC19H17F2N5OS
Molecular Weight401.44 g/mol
Exact Mass401.11
IUPAC Name[(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone
SMILESC[C@@H]1c2nnc(-c3csc(C4CC4)n3)n2CCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N5OS/c1-10-16-23-24-17(15-9-28-18(22-15)11-2-3-11)26(16)7-6-25(10)19(27)12-4-5-13(20)14(21)8-12/h4-5,8-11H,2-3,6-7H2,1H3/t10-/m1/s1
InChIKeySXORZSOLSGOBBU-SNVBAGLBSA-N
XLogP3.77
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone (CID 155711731) is [(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone is C[C@@H]1c2nnc(-c3csc(C4CC4)n3)n2CCN1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is SXORZSOLSGOBBU-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H17F2N5OS/c1-10-16-23-24-17(15-9-28-18(22-15)11-2-3-11)26(16)7-6-25(10)19(27)12-4-5-13(20)14(21)8-12/h4-5,8-11H,2-3,6-7H2,1H3/t10-/m1/s1.
What are the key properties of [(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone?
[(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 401.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 155711731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).