3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C21H21F3N8 — CID 139365204

IUPAC3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESC[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)[C@H](C)[C@H](c2cn[nH]c2)N1
InChIInChI=1S/C21H21F3N8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)18-5-6-25-20(30-18)16-9-26-17-4-3-15(11-32(16)17)21(22,23)24/h3-9,11-13,19,29H,10H2,1-2H3,(H,27,28)/t12-,13-,19-/m1/s1
InChIKeyJBPOJFIDIGZLFB-VLXJIEOASA-N
MW442.45 g/mol
LogP3.46
Rot. Bonds3

About 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139365204) has the molecular formula C21H21F3N8 and a molecular weight of 442.45 g/mol. Its IUPAC name is 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139365204
Molecular FormulaC21H21F3N8
Molecular Weight442.45 g/mol
Exact Mass442.18
IUPAC Name3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESC[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)[C@H](C)[C@H](c2cn[nH]c2)N1
InChIInChI=1S/C21H21F3N8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)18-5-6-25-20(30-18)16-9-26-17-4-3-15(11-32(16)17)21(22,23)24/h3-9,11-13,19,29H,10H2,1-2H3,(H,27,28)/t12-,13-,19-/m1/s1
InChIKeyJBPOJFIDIGZLFB-VLXJIEOASA-N
XLogP3.46
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-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-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139365204) is 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)[C@H](C)[C@H](c2cn[nH]c2)N1.
What is the InChIKey of 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is JBPOJFIDIGZLFB-VLXJIEOASA-N. The full InChI is InChI=1S/C21H21F3N8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)18-5-6-25-20(30-18)16-9-26-17-4-3-15(11-32(16)17)21(22,23)24/h3-9,11-13,19,29H,10H2,1-2H3,(H,27,28)/t12-,13-,19-/m1/s1.
What are the key properties of 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 442.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139365204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).