8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide

C19H19F3N6O2S — CID 139344350

IUPAC8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide
SMILESO=S1(=O)CCN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C1
InChIInChI=1S/C19H19F3N6O2S/c20-19(21,22)13-1-2-16-24-9-15(28(16)10-13)18-23-4-3-17(25-18)27-6-5-26-7-8-31(29,30)12-14(26)11-27/h1-4,9-10,14H,5-8,11-12H2
InChIKeyNSJSFVNHXTWAOQ-UHFFFAOYSA-N
MW452.46 g/mol
LogP1.73
Rot. Bonds2

About 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide

8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide (PubChem CID 139344350) has the molecular formula C19H19F3N6O2S and a molecular weight of 452.46 g/mol. Its IUPAC name is 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide.

Molecular Properties

Compound Name8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide
PubChem CID139344350
Molecular FormulaC19H19F3N6O2S
Molecular Weight452.46 g/mol
Exact Mass452.12
IUPAC Name8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide
SMILESO=S1(=O)CCN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C1
InChIInChI=1S/C19H19F3N6O2S/c20-19(21,22)13-1-2-16-24-9-15(28(16)10-13)18-23-4-3-17(25-18)27-6-5-26-7-8-31(29,30)12-14(26)11-27/h1-4,9-10,14H,5-8,11-12H2
InChIKeyNSJSFVNHXTWAOQ-UHFFFAOYSA-N
XLogP1.73
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide?
The IUPAC name of 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide (CID 139344350) is 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide.
What is the SMILES notation for 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide?
The canonical SMILES for 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide is O=S1(=O)CCN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C1.
What is the InChIKey of 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide?
The InChIKey is NSJSFVNHXTWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2S/c20-19(21,22)13-1-2-16-24-9-15(28(16)10-13)18-23-4-3-17(25-18)27-6-5-26-7-8-31(29,30)12-14(26)11-27/h1-4,9-10,14H,5-8,11-12H2.
What are the key properties of 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide?
8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide has a molecular weight of 452.46 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazine 2,2-dioxide is sourced from PubChem (CID 139344350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).