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

C16H15F2N7O2 — CID 139358818

IUPAC4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C16H15F2N7O2/c17-14(18)9-7-25-10(5-22-13(25)6-21-9)16-20-2-1-12(23-16)24-3-4-27-11(8-24)15(19)26/h1-2,5-7,11,14H,3-4,8H2,(H2,19,26)
InChIKeyLXNFWVHKABXBGM-UHFFFAOYSA-N
MW375.34 g/mol
LogP0.81
Rot. Bonds4

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

4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (PubChem CID 139358818) has the molecular formula C16H15F2N7O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
PubChem CID139358818
Molecular FormulaC16H15F2N7O2
Molecular Weight375.34 g/mol
Exact Mass375.13
IUPAC Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C16H15F2N7O2/c17-14(18)9-7-25-10(5-22-13(25)6-21-9)16-20-2-1-12(23-16)24-3-4-27-11(8-24)15(19)26/h1-2,5-7,11,14H,3-4,8H2,(H2,19,26)
InChIKeyLXNFWVHKABXBGM-UHFFFAOYSA-N
XLogP0.81
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (CID 139358818) is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The canonical SMILES for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1.
What is the InChIKey of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
The InChIKey is LXNFWVHKABXBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N7O2/c17-14(18)9-7-25-10(5-22-13(25)6-21-9)16-20-2-1-12(23-16)24-3-4-27-11(8-24)15(19)26/h1-2,5-7,11,14H,3-4,8H2,(H2,19,26).
What are the key properties of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?
4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide has a molecular weight of 375.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 139358818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).