3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C19H21F3N6O2S — CID 139344803

IUPAC3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1(C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1S(C)(=O)=O
InChIInChI=1S/C19H21F3N6O2S/c1-18(2)12-26(8-9-28(18)31(3,29)30)16-6-7-23-17(25-16)14-10-24-15-5-4-13(11-27(14)15)19(20,21)22/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyCJBGBVDTMMRDDY-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.67
Rot. Bonds3

About 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344803) has the molecular formula C19H21F3N6O2S and a molecular weight of 454.48 g/mol. Its IUPAC name is 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344803
Molecular FormulaC19H21F3N6O2S
Molecular Weight454.48 g/mol
Exact Mass454.14
IUPAC Name3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1(C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1S(C)(=O)=O
InChIInChI=1S/C19H21F3N6O2S/c1-18(2)12-26(8-9-28(18)31(3,29)30)16-6-7-23-17(25-16)14-10-24-15-5-4-13(11-27(14)15)19(20,21)22/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyCJBGBVDTMMRDDY-UHFFFAOYSA-N
XLogP2.67
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine 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 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344803) is 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1(C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1S(C)(=O)=O.
What is the InChIKey of 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is CJBGBVDTMMRDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2S/c1-18(2)12-26(8-9-28(18)31(3,29)30)16-6-7-23-17(25-16)14-10-24-15-5-4-13(11-27(14)15)19(20,21)22/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 454.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).