3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one

C20H23F3N6O — CID 110222380

IUPAC3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc(C(F)(F)F)n2nc(C3CCCCN3C(=O)CCn3ccnc3C)cc2n1
InChIInChI=1S/C20H23F3N6O/c1-13-11-17(20(21,22)23)29-18(25-13)12-15(26-29)16-5-3-4-8-28(16)19(30)6-9-27-10-7-24-14(27)2/h7,10-12,16H,3-6,8-9H2,1-2H3
InChIKeyFMDNWWVLPKYLBL-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.71
Rot. Bonds4

About 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one

3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 110222380) has the molecular formula C20H23F3N6O and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID110222380
Molecular FormulaC20H23F3N6O
Molecular Weight420.44 g/mol
Exact Mass420.19
IUPAC Name3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc(C(F)(F)F)n2nc(C3CCCCN3C(=O)CCn3ccnc3C)cc2n1
InChIInChI=1S/C20H23F3N6O/c1-13-11-17(20(21,22)23)29-18(25-13)12-15(26-29)16-5-3-4-8-28(16)19(30)6-9-27-10-7-24-14(27)2/h7,10-12,16H,3-6,8-9H2,1-2H3
InChIKeyFMDNWWVLPKYLBL-UHFFFAOYSA-N
XLogP3.71
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110222345
[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110222467
1-[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 92588835
1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 46955728
2,6-dimethyl-4-[[(2S)-2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 95849563
3-(3-methylpyrazol-1-yl)-1-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110242785
[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 110222361
(3S)-1-[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92588823
1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 46955739
(3S)-1-[(2R)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92588824
[(2S)-2-[5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92597389
[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 92588815

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one (CID 110222380) is 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one is Cc1cc(C(F)(F)F)n2nc(C3CCCCN3C(=O)CCn3ccnc3C)cc2n1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is FMDNWWVLPKYLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O/c1-13-11-17(20(21,22)23)29-18(25-13)12-15(26-29)16-5-3-4-8-28(16)19(30)6-9-27-10-7-24-14(27)2/h7,10-12,16H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 420.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110222380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).