3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C20H19F4N9 — CID 139358690

IUPAC3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2nc(-c3cnc4cnc(C(F)(F)F)cn34)ncc2F)C(C)C(c2cn[nH]c2)N1
InChIInChI=1S/C20H19F4N9/c1-10-8-32(11(2)17(30-10)12-3-28-29-4-12)19-13(21)5-27-18(31-19)14-6-26-16-7-25-15(9-33(14)16)20(22,23)24/h3-7,9-11,17,30H,8H2,1-2H3,(H,28,29)
InChIKeyMKKHSUXVZPEFDP-UHFFFAOYSA-N
MW461.43 g/mol
LogP3.00
Rot. Bonds3

About 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139358690) has the molecular formula C20H19F4N9 and a molecular weight of 461.43 g/mol. Its IUPAC name is 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139358690
Molecular FormulaC20H19F4N9
Molecular Weight461.43 g/mol
Exact Mass461.17
IUPAC Name3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2nc(-c3cnc4cnc(C(F)(F)F)cn34)ncc2F)C(C)C(c2cn[nH]c2)N1
InChIInChI=1S/C20H19F4N9/c1-10-8-32(11(2)17(30-10)12-3-28-29-4-12)19-13(21)5-27-18(31-19)14-6-26-16-7-25-15(9-33(14)16)20(22,23)24/h3-7,9-11,17,30H,8H2,1-2H3,(H,28,29)
InChIKeyMKKHSUXVZPEFDP-UHFFFAOYSA-N
XLogP3.00
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
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
5-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343586
bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161133495
(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
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
(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-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343602
(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
3-[4-[(3R,5R)-3-methyl-5-(3-methylimidazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 153418447
3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358816

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 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) is 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1CN(c2nc(-c3cnc4cnc(C(F)(F)F)cn34)ncc2F)C(C)C(c2cn[nH]c2)N1.
What is the InChIKey of 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is MKKHSUXVZPEFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N9/c1-10-8-32(11(2)17(30-10)12-3-28-29-4-12)19-13(21)5-27-18(31-19)14-6-26-16-7-25-15(9-33(14)16)20(22,23)24/h3-7,9-11,17,30H,8H2,1-2H3,(H,28,29).
What are the key properties of 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 461.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).