1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

C22H24F3N7O — CID 153331484

IUPAC1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESC[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.Cc1ccn(C)n1
InChIInChI=1S/C17H16F3N5O.C5H8N2/c1-11-9-24(6-7-26-11)16-21-5-4-13(23-16)14-8-22-15-3-2-12(10-25(14)15)17(18,19)20;1-5-3-4-7(2)6-5/h2-5,8,10-11H,6-7,9H2,1H3;3-4H,1-2H3/t11-;/m0./s1
InChIKeyZZBPLBNMJRKRMS-MERQFXBCSA-N
MW459.48 g/mol
LogP3.76
Rot. Bonds2

About 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 153331484) has the molecular formula C22H24F3N7O and a molecular weight of 459.48 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
PubChem CID153331484
Molecular FormulaC22H24F3N7O
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC Name1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESC[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.Cc1ccn(C)n1
InChIInChI=1S/C17H16F3N5O.C5H8N2/c1-11-9-24(6-7-26-11)16-21-5-4-13(23-16)14-8-22-15-3-2-12(10-25(14)15)17(18,19)20;1-5-3-4-7(2)6-5/h2-5,8,10-11H,6-7,9H2,1H3;3-4H,1-2H3/t11-;/m0./s1
InChIKeyZZBPLBNMJRKRMS-MERQFXBCSA-N
XLogP3.76
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Adipiplon
CID 11198924
Jnj-42396302
CID 51352628
Bay-41-8543
CID 9953906
Vabametkib
CID 73504719
4-[3-[1-[(2s)-2-Methoxypropyl]pyrazol-4-Yl]-2-Methyl-Imidazo[1,2-A]pyrazin-8-Yl]morpholine
CID 67458671
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-C]pyridin-6-Amine
CID 86278568
US9266891, III-19
CID 90161075
6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807
US10399985, Example 30
CID 118278101
(R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11225074
(R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11247946
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 153331484) is 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is C[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.Cc1ccn(C)n1.
What is the InChIKey of 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is ZZBPLBNMJRKRMS-MERQFXBCSA-N. The full InChI is InChI=1S/C17H16F3N5O.C5H8N2/c1-11-9-24(6-7-26-11)16-21-5-4-13(23-16)14-8-22-15-3-2-12(10-25(14)15)17(18,19)20;1-5-3-4-7(2)6-5/h2-5,8,10-11H,6-7,9H2,1H3;3-4H,1-2H3/t11-;/m0./s1.
What are the key properties of 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 459.48 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole;(2S)-2-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 153331484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).