(4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C20H21FN6OS — CID 53482208

IUPAC(4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2csc(N3CCCCC3)n2)C1
InChIInChI=1S/C20H21FN6OS/c21-15-6-4-14(5-7-15)19(28)26-10-11-27-17(12-26)23-24-18(27)16-13-29-20(22-16)25-8-2-1-3-9-25/h4-7,13H,1-3,8-12H2
InChIKeySGIPODHULJFZJB-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.19
Rot. Bonds3

About (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 53482208) has the molecular formula C20H21FN6OS and a molecular weight of 412.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID53482208
Molecular FormulaC20H21FN6OS
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC Name(4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2csc(N3CCCCC3)n2)C1
InChIInChI=1S/C20H21FN6OS/c21-15-6-4-14(5-7-15)19(28)26-10-11-27-17(12-26)23-24-18(27)16-13-29-20(22-16)25-8-2-1-3-9-25/h4-7,13H,1-3,8-12H2
InChIKeySGIPODHULJFZJB-UHFFFAOYSA-N
XLogP3.19
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 53482208) is (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2csc(N3CCCCC3)n2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is SGIPODHULJFZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6OS/c21-15-6-4-14(5-7-15)19(28)26-10-11-27-17(12-26)23-24-18(27)16-13-29-20(22-16)25-8-2-1-3-9-25/h4-7,13H,1-3,8-12H2.
What are the key properties of (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 412.49 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 53482208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).