4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine

C19H20F3N7O — CID 139359143

IUPAC4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC(N5CCOCC5)C4)n3)cnc2cn1
InChIInChI=1S/C19H20F3N7O/c20-19(21,22)15-12-29-14(9-25-17(29)10-24-15)18-23-3-1-16(26-18)28-4-2-13(11-28)27-5-7-30-8-6-27/h1,3,9-10,12-13H,2,4-8,11H2
InChIKeyKJDKPZYCDFHXAQ-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.12
Rot. Bonds3

About 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine

4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine (PubChem CID 139359143) has the molecular formula C19H20F3N7O and a molecular weight of 419.41 g/mol. Its IUPAC name is 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
PubChem CID139359143
Molecular FormulaC19H20F3N7O
Molecular Weight419.41 g/mol
Exact Mass419.17
IUPAC Name4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC(N5CCOCC5)C4)n3)cnc2cn1
InChIInChI=1S/C19H20F3N7O/c20-19(21,22)15-12-29-14(9-25-17(29)10-24-15)18-23-3-1-16(26-18)28-4-2-13(11-28)27-5-7-30-8-6-27/h1,3,9-10,12-13H,2,4-8,11H2
InChIKeyKJDKPZYCDFHXAQ-UHFFFAOYSA-N
XLogP2.12
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine
CID 71491199
(4aR,7aS)-6-[(3-methylimidazol-4-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97402865
4-[(4aR,7aS)-6-[(1-methylimidazol-2-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 97510746
4-[7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]morpholine
CID 134848884
N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10409040
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343437
N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide
CID 139343611
3-[4-[3-(1,2,4-Triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343743
3-[4-[3-(1,2,4-Triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139357594
3-[4-(3,4-Dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139357602
1-[4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357652

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine (CID 139359143) is 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine is FC(F)(F)c1cn2c(-c3nccc(N4CCC(N5CCOCC5)C4)n3)cnc2cn1.
What is the InChIKey of 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
The InChIKey is KJDKPZYCDFHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O/c20-19(21,22)15-12-29-14(9-25-17(29)10-24-15)18-23-3-1-16(26-18)28-4-2-13(11-28)27-5-7-30-8-6-27/h1,3,9-10,12-13H,2,4-8,11H2.
What are the key properties of 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine has a molecular weight of 419.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 139359143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).