imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

C16H15F3N6O — CID 166277837

IUPACimidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cnc2ncccn12)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)13-4-9-25(22-13)11-2-7-23(8-3-11)14(26)12-10-21-15-20-5-1-6-24(12)15/h1,4-6,9-11H,2-3,7-8H2
InChIKeyFEWYAURATIXOSW-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.42
Rot. Bonds2

About imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 166277837) has the molecular formula C16H15F3N6O and a molecular weight of 364.33 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID166277837
Molecular FormulaC16H15F3N6O
Molecular Weight364.33 g/mol
Exact Mass364.13
IUPAC Nameimidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cnc2ncccn12)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)13-4-9-25(22-13)11-2-7-23(8-3-11)14(26)12-10-21-15-20-5-1-6-24(12)15/h1,4-6,9-11H,2-3,7-8H2
InChIKeyFEWYAURATIXOSW-UHFFFAOYSA-N
XLogP2.42
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 166277837) is imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is O=C(c1cnc2ncccn12)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is FEWYAURATIXOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O/c17-16(18,19)13-4-9-25(22-13)11-2-7-23(8-3-11)14(26)12-10-21-15-20-5-1-6-24(12)15/h1,4-6,9-11H,2-3,7-8H2.
What are the key properties of imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 364.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 166277837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).