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

C16H15F2N7O — CID 139358260

IUPAC1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C16H15F2N7O/c17-14(18)10-8-25-11(5-22-13(25)6-21-10)16-20-3-1-12(23-16)24-4-2-9(7-24)15(19)26/h1,3,5-6,8-9,14H,2,4,7H2,(H2,19,26)
InChIKeyQALYQUKYTGYKQM-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.44
Rot. Bonds4

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

1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 139358260) has the molecular formula C16H15F2N7O and a molecular weight of 359.34 g/mol. Its IUPAC name is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID139358260
Molecular FormulaC16H15F2N7O
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C16H15F2N7O/c17-14(18)10-8-25-11(5-22-13(25)6-21-10)16-20-3-1-12(23-16)24-4-2-9(7-24)15(19)26/h1,3,5-6,8-9,14H,2,4,7H2,(H2,19,26)
InChIKeyQALYQUKYTGYKQM-UHFFFAOYSA-N
XLogP1.44
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 139358260) is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is QALYQUKYTGYKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N7O/c17-14(18)10-8-25-11(5-22-13(25)6-21-10)16-20-3-1-12(23-16)24-4-2-9(7-24)15(19)26/h1,3,5-6,8-9,14H,2,4,7H2,(H2,19,26).
What are the key properties of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 359.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 139358260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).