(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene

C23H24F3N7O — CID 153331661

IUPAC(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene
SMILESC=C.Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C21H20F3N7O.C2H4/c1-13-15(11-29(2)28-13)18-12-30(7-8-32-18)20-25-6-5-16(27-20)17-9-26-19-4-3-14(10-31(17)19)21(22,23)24;1-2/h3-6,9-11,18H,7-8,12H2,1-2H3;1-2H2/t18-;/m0./s1
InChIKeyRDZIYXUSDCZZRA-FERBBOLQSA-N
MW471.49 g/mol
LogP4.23
Rot. Bonds3

About (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene

(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene (PubChem CID 153331661) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene.

Molecular Properties

Compound Name(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene
PubChem CID153331661
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC Name(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene
SMILESC=C.Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C21H20F3N7O.C2H4/c1-13-15(11-29(2)28-13)18-12-30(7-8-32-18)20-25-6-5-16(27-20)17-9-26-19-4-3-14(10-31(17)19)21(22,23)24;1-2/h3-6,9-11,18H,7-8,12H2,1-2H3;1-2H2/t18-;/m0./s1
InChIKeyRDZIYXUSDCZZRA-FERBBOLQSA-N
XLogP4.23
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[3-[1-[(2s)-2-Methoxypropyl]pyrazol-4-Yl]-2-Methyl-Imidazo[1,2-A]pyrazin-8-Yl]morpholine
CID 67458671
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
CID 102004312
4-[4-[5-(1-Cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine
CID 146316014
1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 127050189
3-methyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887522
3-ethyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887568
4-[3-(Imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine
CID 53262468
4-(3-(1-(2-methoxyethyl)-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyrazin-8-yl)morpholine
CID 53380288
4-[2-Methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413400
4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67423384
4-[3-(1-Ethylpyrazol-4-yl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67424613
4-[2-Methyl-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425080

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene?
The IUPAC name of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene (CID 153331661) is (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene.
What is the SMILES notation for (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene?
The canonical SMILES for (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene is C=C.Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.
What is the InChIKey of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene?
The InChIKey is RDZIYXUSDCZZRA-FERBBOLQSA-N. The full InChI is InChI=1S/C21H20F3N7O.C2H4/c1-13-15(11-29(2)28-13)18-12-30(7-8-32-18)20-25-6-5-16(27-20)17-9-26-19-4-3-14(10-31(17)19)21(22,23)24;1-2/h3-6,9-11,18H,7-8,12H2,1-2H3;1-2H2/t18-;/m0./s1.
What are the key properties of (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene?
(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene has a molecular weight of 471.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene is sourced from PubChem (CID 153331661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).