3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

C21H14F4N4O2 — CID 90157455

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(OC(F)F)cc3)cnc2cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H14F4N4O2/c1-28(13-4-7-15(22)16(23)8-13)20(30)17-11-29-18(9-27-19(29)10-26-17)12-2-5-14(6-3-12)31-21(24)25/h2-11,21H,1H3
InChIKeyQOZVJIYICNLTFB-UHFFFAOYSA-N
MW430.36 g/mol
LogP4.55
Rot. Bonds5

About 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157455) has the molecular formula C21H14F4N4O2 and a molecular weight of 430.36 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157455
Molecular FormulaC21H14F4N4O2
Molecular Weight430.36 g/mol
Exact Mass430.11
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(OC(F)F)cc3)cnc2cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H14F4N4O2/c1-28(13-4-7-15(22)16(23)8-13)20(30)17-11-29-18(9-27-19(29)10-26-17)12-2-5-14(6-3-12)31-21(24)25/h2-11,21H,1H3
InChIKeyQOZVJIYICNLTFB-UHFFFAOYSA-N
XLogP4.55
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 90157455) is 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(OC(F)F)cc3)cnc2cn1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is QOZVJIYICNLTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2/c1-28(13-4-7-15(22)16(23)8-13)20(30)17-11-29-18(9-27-19(29)10-26-17)12-2-5-14(6-3-12)31-21(24)25/h2-11,21H,1H3.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 430.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).