2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol

C22H24F3N9O — CID 139343246

IUPAC2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCC1C(c2cn[nH]c2)N(CCO)C(C)CN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C22H24F3N9O/c1-13-11-33(14(2)20(32(13)5-6-35)15-7-29-30-8-15)18-3-4-26-21(31-18)16-9-28-19-10-27-17(12-34(16)19)22(23,24)25/h3-4,7-10,12-14,20,35H,5-6,11H2,1-2H3,(H,29,30)
InChIKeyDEFKXQGPNROMDY-UHFFFAOYSA-N
MW487.49 g/mol
LogP2.56
Rot. Bonds5

About 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 139343246) has the molecular formula C22H24F3N9O and a molecular weight of 487.49 g/mol. Its IUPAC name is 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID139343246
Molecular FormulaC22H24F3N9O
Molecular Weight487.49 g/mol
Exact Mass487.21
IUPAC Name2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCC1C(c2cn[nH]c2)N(CCO)C(C)CN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C22H24F3N9O/c1-13-11-33(14(2)20(32(13)5-6-35)15-7-29-30-8-15)18-3-4-26-21(31-18)16-9-28-19-10-27-17(12-34(16)19)22(23,24)25/h3-4,7-10,12-14,20,35H,5-6,11H2,1-2H3,(H,29,30)
InChIKeyDEFKXQGPNROMDY-UHFFFAOYSA-N
XLogP2.56
TPSA111.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

3-[4-[2-methyl-5-propan-2-yl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343726
3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-6-methoxypyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343476
(2R,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 152617043
3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 159637451
3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358797
2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 139358652
6-bromo-3-[4-[2,4-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139359577
(9aS)-4-(1H-pyrazol-4-yl)-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 139359909
3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358690
3-[4-[(2S,3R)-2-methyl-4-[(3-methyloxetan-3-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344349
3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358816
(Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane
CID 153330909

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 139343246) is 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol is CC1C(c2cn[nH]c2)N(CCO)C(C)CN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.
What is the InChIKey of 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is DEFKXQGPNROMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N9O/c1-13-11-33(14(2)20(32(13)5-6-35)15-7-29-30-8-15)18-3-4-26-21(31-18)16-9-28-19-10-27-17(12-34(16)19)22(23,24)25/h3-4,7-10,12-14,20,35H,5-6,11H2,1-2H3,(H,29,30).
What are the key properties of 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 487.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 139343246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).