(4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C19H15ClN6OS — CID 162686448

IUPAC(4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1c2nnc(-c3nc4cccnc4s3)n2CCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN6OS/c1-11-15-23-24-16(18-22-14-3-2-8-21-17(14)28-18)26(15)10-9-25(11)19(27)12-4-6-13(20)7-5-12/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyIZBCZVXXNARYCK-LLVKDONJSA-N
MW410.89 g/mol
LogP3.82
Rot. Bonds2

About (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 162686448) has the molecular formula C19H15ClN6OS and a molecular weight of 410.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID162686448
Molecular FormulaC19H15ClN6OS
Molecular Weight410.89 g/mol
Exact Mass410.07
IUPAC Name(4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1c2nnc(-c3nc4cccnc4s3)n2CCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN6OS/c1-11-15-23-24-16(18-22-14-3-2-8-21-17(14)28-18)26(15)10-9-25(11)19(27)12-4-6-13(20)7-5-12/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyIZBCZVXXNARYCK-LLVKDONJSA-N
XLogP3.82
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 162686448) is (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@@H]1c2nnc(-c3nc4cccnc4s3)n2CCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is IZBCZVXXNARYCK-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15ClN6OS/c1-11-15-23-24-16(18-22-14-3-2-8-21-17(14)28-18)26(15)10-9-25(11)19(27)12-4-6-13(20)7-5-12/h2-8,11H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 410.89 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(8R)-8-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 162686448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).