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

C16H14F3N7O2 — CID 139358101

IUPAC4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C16H14F3N7O2/c17-16(18,19)11-8-26-9(5-23-13(26)6-22-11)15-21-2-1-12(24-15)25-3-4-28-10(7-25)14(20)27/h1-2,5-6,8,10H,3-4,7H2,(H2,20,27)
InChIKeySJYQCOQNCCZJTB-UHFFFAOYSA-N
MW393.33 g/mol
LogP0.90
Rot. Bonds3

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

4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (PubChem CID 139358101) has the molecular formula C16H14F3N7O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
PubChem CID139358101
Molecular FormulaC16H14F3N7O2
Molecular Weight393.33 g/mol
Exact Mass393.12
IUPAC Name4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C16H14F3N7O2/c17-16(18,19)11-8-26-9(5-23-13(26)6-22-11)15-21-2-1-12(24-15)25-3-4-28-10(7-25)14(20)27/h1-2,5-6,8,10H,3-4,7H2,(H2,20,27)
InChIKeySJYQCOQNCCZJTB-UHFFFAOYSA-N
XLogP0.90
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357653
(E)-3-imino-2-[6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]prop-1-en-1-amine
CID 139357654
[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 139357655
(E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
CID 139357665
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide
CID 139357703
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 139357704
(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
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139358002
2-[4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
CID 139358058
1-[4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
CID 139358258
4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide
CID 139358291

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The IUPAC name of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (CID 139358101) is 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The canonical SMILES for 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.
What is the InChIKey of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The InChIKey is SJYQCOQNCCZJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O2/c17-16(18,19)11-8-26-9(5-23-13(26)6-22-11)15-21-2-1-12(24-15)25-3-4-28-10(7-25)14(20)27/h1-2,5-6,8,10H,3-4,7H2,(H2,20,27).
What are the key properties of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide has a molecular weight of 393.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 139358101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).