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

C17H16F3N7O — CID 139357797

IUPACN-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H16F3N7O/c1-21-16(28)10-3-5-26(8-10)13-2-4-22-15(25-13)11-6-24-14-7-23-12(9-27(11)14)17(18,19)20/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,21,28)
InChIKeyKHHCLPPWZUCYOS-UHFFFAOYSA-N
MW391.36 g/mol
LogP1.78
Rot. Bonds3

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

N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 139357797) has the molecular formula C17H16F3N7O and a molecular weight of 391.36 g/mol. Its IUPAC name is N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID139357797
Molecular FormulaC17H16F3N7O
Molecular Weight391.36 g/mol
Exact Mass391.14
IUPAC NameN-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H16F3N7O/c1-21-16(28)10-3-5-26(8-10)13-2-4-22-15(25-13)11-6-24-14-7-23-12(9-27(11)14)17(18,19)20/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,21,28)
InChIKeyKHHCLPPWZUCYOS-UHFFFAOYSA-N
XLogP1.78
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 139357797) is N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is KHHCLPPWZUCYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O/c1-21-16(28)10-3-5-26(8-10)13-2-4-22-15(25-13)11-6-24-14-7-23-12(9-27(11)14)17(18,19)20/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,21,28).
What are the key properties of N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 391.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 139357797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).