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

C23H25F3N10 — CID 139344011

IUPAC3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2cc(N3CCC3)nc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1
InChIInChI=1S/C23H25F3N10/c1-13-11-35(14(2)21(31-13)15-7-29-30-8-15)19-6-18(34-4-3-5-34)32-22(33-19)16-9-28-20-10-27-17(12-36(16)20)23(24,25)26/h6-10,12-14,21,31H,3-5,11H2,1-2H3,(H,29,30)
InChIKeyJECCMXHAZUIRHK-UHFFFAOYSA-N
MW498.52 g/mol
LogP3.07
Rot. Bonds4

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

3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139344011) has the molecular formula C23H25F3N10 and a molecular weight of 498.52 g/mol. Its IUPAC name is 3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139344011
Molecular FormulaC23H25F3N10
Molecular Weight498.52 g/mol
Exact Mass498.22
IUPAC Name3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2cc(N3CCC3)nc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1
InChIInChI=1S/C23H25F3N10/c1-13-11-35(14(2)21(31-13)15-7-29-30-8-15)19-6-18(34-4-3-5-34)32-22(33-19)16-9-28-20-10-27-17(12-36(16)20)23(24,25)26/h6-10,12-14,21,31H,3-5,11H2,1-2H3,(H,29,30)
InChIKeyJECCMXHAZUIRHK-UHFFFAOYSA-N
XLogP3.07
TPSA103.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139344011) is 3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1CN(c2cc(N3CCC3)nc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1.
What is the InChIKey of 3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is JECCMXHAZUIRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N10/c1-13-11-35(14(2)21(31-13)15-7-29-30-8-15)19-6-18(34-4-3-5-34)32-22(33-19)16-9-28-20-10-27-17(12-36(16)20)23(24,25)26/h6-10,12-14,21,31H,3-5,11H2,1-2H3,(H,29,30).
What are the key properties of 3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 498.52 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139344011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).