N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide

C20H18F4N4O2 — CID 121484469

IUPACN-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide
SMILESCOc1cc(NC(=O)N2CCN3C=CN(c4ccc(F)cc4F)C3C2)cc(F)c1F
InChIInChI=1S/C20H18F4N4O2/c1-30-17-10-13(9-15(23)19(17)24)25-20(29)27-5-4-26-6-7-28(18(26)11-27)16-3-2-12(21)8-14(16)22/h2-3,6-10,18H,4-5,11H2,1H3,(H,25,29)
InChIKeyOHGHGCKXHAPVHD-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.72
Rot. Bonds3

About N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide

N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide (PubChem CID 121484469) has the molecular formula C20H18F4N4O2 and a molecular weight of 422.38 g/mol. Its IUPAC name is N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide
PubChem CID121484469
Molecular FormulaC20H18F4N4O2
Molecular Weight422.38 g/mol
Exact Mass422.14
IUPAC NameN-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide
SMILESCOc1cc(NC(=O)N2CCN3C=CN(c4ccc(F)cc4F)C3C2)cc(F)c1F
InChIInChI=1S/C20H18F4N4O2/c1-30-17-10-13(9-15(23)19(17)24)25-20(29)27-5-4-26-6-7-28(18(26)11-27)16-3-2-12(21)8-14(16)22/h2-3,6-10,18H,4-5,11H2,1H3,(H,25,29)
InChIKeyOHGHGCKXHAPVHD-UHFFFAOYSA-N
XLogP3.72
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide (CID 121484469) is N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide is COc1cc(NC(=O)N2CCN3C=CN(c4ccc(F)cc4F)C3C2)cc(F)c1F.
What is the InChIKey of N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is OHGHGCKXHAPVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O2/c1-30-17-10-13(9-15(23)19(17)24)25-20(29)27-5-4-26-6-7-28(18(26)11-27)16-3-2-12(21)8-14(16)22/h2-3,6-10,18H,4-5,11H2,1H3,(H,25,29).
What are the key properties of N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide?
N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 422.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-5-methoxyphenyl)-1-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 121484469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).