N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C22H15F5N4O2 — CID 90157703

IUPACN-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccccc1OC(F)F
InChIInChI=1S/C22H15F5N4O2/c1-30(16-4-2-3-5-18(16)33-21(23)24)20(32)15-12-31-17(10-29-19(31)11-28-15)13-6-8-14(9-7-13)22(25,26)27/h2-12,21H,1H3
InChIKeyGFOUIRFXRSQSCT-UHFFFAOYSA-N
MW462.38 g/mol
LogP5.29
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157703) has the molecular formula C22H15F5N4O2 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157703
Molecular FormulaC22H15F5N4O2
Molecular Weight462.38 g/mol
Exact Mass462.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccccc1OC(F)F
InChIInChI=1S/C22H15F5N4O2/c1-30(16-4-2-3-5-18(16)33-21(23)24)20(32)15-12-31-17(10-29-19(31)11-28-15)13-6-8-14(9-7-13)22(25,26)27/h2-12,21H,1H3
InChIKeyGFOUIRFXRSQSCT-UHFFFAOYSA-N
XLogP5.29
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157703) is N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is GFOUIRFXRSQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N4O2/c1-30(16-4-2-3-5-18(16)33-21(23)24)20(32)15-12-31-17(10-29-19(31)11-28-15)13-6-8-14(9-7-13)22(25,26)27/h2-12,21H,1H3.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 462.38 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).