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

C21H22F3N7O — CID 153331711

IUPAC1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccn(C)n1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOCC4)n3)n2c1
InChIInChI=1S/C16H14F3N5O.C5H8N2/c17-16(18,19)11-1-2-14-21-9-13(24(14)10-11)12-3-4-20-15(22-12)23-5-7-25-8-6-23;1-5-3-4-7(2)6-5/h1-4,9-10H,5-8H2;3-4H,1-2H3
InChIKeyRZYWJHIBXKASIW-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.38
Rot. Bonds2

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

1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 153331711) has the molecular formula C21H22F3N7O and a molecular weight of 445.45 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
PubChem CID153331711
Molecular FormulaC21H22F3N7O
Molecular Weight445.45 g/mol
Exact Mass445.18
IUPAC Name1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccn(C)n1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOCC4)n3)n2c1
InChIInChI=1S/C16H14F3N5O.C5H8N2/c17-16(18,19)11-1-2-14-21-9-13(24(14)10-11)12-3-4-20-15(22-12)23-5-7-25-8-6-23;1-5-3-4-7(2)6-5/h1-4,9-10H,5-8H2;3-4H,1-2H3
InChIKeyRZYWJHIBXKASIW-UHFFFAOYSA-N
XLogP3.38
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

Savolitinib
CID 68289010
Pf-05180999
CID 60143346
Adipiplon
CID 11198924
Jnj-42396302
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Bay-41-8543
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Vabametkib
CID 73504719
1-{1-[8-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 66802145
4-[3-[1-[(2s)-2-Methoxypropyl]pyrazol-4-Yl]-2-Methyl-Imidazo[1,2-A]pyrazin-8-Yl]morpholine
CID 67458671
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
US10399985, Example 20
CID 118278203

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 153331711) is 1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is Cc1ccn(C)n1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOCC4)n3)n2c1.
What is the InChIKey of 1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is RZYWJHIBXKASIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O.C5H8N2/c17-16(18,19)11-1-2-14-21-9-13(24(14)10-11)12-3-4-20-15(22-12)23-5-7-25-8-6-23;1-5-3-4-7(2)6-5/h1-4,9-10H,5-8H2;3-4H,1-2H3.
What are the key properties of 1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 445.45 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 153331711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).