(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

C21H19F3N8O2 — CID 139357812

IUPAC(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESC[C@H]1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C[C@@H](c2nc(C3CC3)no2)O1
InChIInChI=1S/C21H19F3N8O2/c1-11-8-31(9-14(33-11)20-29-18(30-34-20)12-2-3-12)16-4-5-25-19(28-16)13-6-27-17-7-26-15(10-32(13)17)21(22,23)24/h4-7,10-12,14H,2-3,8-9H2,1H3/t11-,14-/m0/s1
InChIKeySXSJGMSMDAHEIN-FZMZJTMJSA-N
MW472.43 g/mol
LogP3.43
Rot. Bonds4

About (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 139357812) has the molecular formula C21H19F3N8O2 and a molecular weight of 472.43 g/mol. Its IUPAC name is (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID139357812
Molecular FormulaC21H19F3N8O2
Molecular Weight472.43 g/mol
Exact Mass472.16
IUPAC Name(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESC[C@H]1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C[C@@H](c2nc(C3CC3)no2)O1
InChIInChI=1S/C21H19F3N8O2/c1-11-8-31(9-14(33-11)20-29-18(30-34-20)12-2-3-12)16-4-5-25-19(28-16)13-6-27-17-7-26-15(10-32(13)17)21(22,23)24/h4-7,10-12,14H,2-3,8-9H2,1H3/t11-,14-/m0/s1
InChIKeySXSJGMSMDAHEIN-FZMZJTMJSA-N
XLogP3.43
TPSA107.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139357809
(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139357818
9-Methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139358702
(4aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 139359058
(4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 139359762
4-Methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 155755192
(2R,6R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 137839891
[(2R,6R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylmorpholin-4-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone
CID 137869600
(2R,6R)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 137880808
(2R,6R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-6-methylmorpholine
CID 154761227

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (CID 139357812) is (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is C[C@H]1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C[C@@H](c2nc(C3CC3)no2)O1.
What is the InChIKey of (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is SXSJGMSMDAHEIN-FZMZJTMJSA-N. The full InChI is InChI=1S/C21H19F3N8O2/c1-11-8-31(9-14(33-11)20-29-18(30-34-20)12-2-3-12)16-4-5-25-19(28-16)13-6-27-17-7-26-15(10-32(13)17)21(22,23)24/h4-7,10-12,14H,2-3,8-9H2,1H3/t11-,14-/m0/s1.
What are the key properties of (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 472.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 139357812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).