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

C16H14F3N7O — CID 139358098

IUPAC1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H14F3N7O/c17-16(18,19)11-8-26-10(5-23-13(26)6-22-11)15-21-3-1-12(24-15)25-4-2-9(7-25)14(20)27/h1,3,5-6,8-9H,2,4,7H2,(H2,20,27)
InChIKeyAGEAGPZUEJPHNG-UHFFFAOYSA-N
MW377.33 g/mol
LogP1.52
Rot. Bonds3

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

1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 139358098) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is 1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID139358098
Molecular FormulaC16H14F3N7O
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H14F3N7O/c17-16(18,19)11-8-26-10(5-23-13(26)6-22-11)15-21-3-1-12(24-15)25-4-2-9(7-25)14(20)27/h1,3,5-6,8-9H,2,4,7H2,(H2,20,27)
InChIKeyAGEAGPZUEJPHNG-UHFFFAOYSA-N
XLogP1.52
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 139358098) is 1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is AGEAGPZUEJPHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O/c17-16(18,19)11-8-26-10(5-23-13(26)6-22-11)15-21-3-1-12(24-15)25-4-2-9(7-25)14(20)27/h1,3,5-6,8-9H,2,4,7H2,(H2,20,27).
What are the key properties of 1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 139358098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).