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

C18H11F3N6O — CID 139357766

IUPAC3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1
InChIInChI=1S/C18H11F3N6O/c19-11-2-1-9(17(22)28)5-10(11)12-3-4-23-18(26-12)14-6-25-15-7-24-13(16(20)21)8-27(14)15/h1-8,16H,(H2,22,28)
InChIKeyLGSXKCTXAVBLOC-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.03
Rot. Bonds4

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

3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide (PubChem CID 139357766) has the molecular formula C18H11F3N6O and a molecular weight of 384.32 g/mol. Its IUPAC name is 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide
PubChem CID139357766
Molecular FormulaC18H11F3N6O
Molecular Weight384.32 g/mol
Exact Mass384.09
IUPAC Name3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1
InChIInChI=1S/C18H11F3N6O/c19-11-2-1-9(17(22)28)5-10(11)12-3-4-23-18(26-12)14-6-25-15-7-24-13(16(20)21)8-27(14)15/h1-8,16H,(H2,22,28)
InChIKeyLGSXKCTXAVBLOC-UHFFFAOYSA-N
XLogP3.03
TPSA99.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide?
The IUPAC name of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide (CID 139357766) is 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.
What is the InChIKey of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide?
The InChIKey is LGSXKCTXAVBLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N6O/c19-11-2-1-9(17(22)28)5-10(11)12-3-4-23-18(26-12)14-6-25-15-7-24-13(16(20)21)8-27(14)15/h1-8,16H,(H2,22,28).
What are the key properties of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide?
3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide has a molecular weight of 384.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 139357766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).