2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide

C17H22F2N4O2 — CID 166256907

IUPAC2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)(CNC(=O)c1c(C(F)F)nc2cnccn12)C1CCOCC1
InChIInChI=1S/C17H22F2N4O2/c1-17(2,11-3-7-25-8-4-11)10-21-16(24)14-13(15(18)19)22-12-9-20-5-6-23(12)14/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3,(H,21,24)
InChIKeyGZAXXOMDHJJCFG-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.85
Rot. Bonds5

About 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide

2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 166256907) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID166256907
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)(CNC(=O)c1c(C(F)F)nc2cnccn12)C1CCOCC1
InChIInChI=1S/C17H22F2N4O2/c1-17(2,11-3-7-25-8-4-11)10-21-16(24)14-13(15(18)19)22-12-9-20-5-6-23(12)14/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3,(H,21,24)
InChIKeyGZAXXOMDHJJCFG-UHFFFAOYSA-N
XLogP2.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide (CID 166256907) is 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide is CC(C)(CNC(=O)c1c(C(F)F)nc2cnccn12)C1CCOCC1.
What is the InChIKey of 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is GZAXXOMDHJJCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c1-17(2,11-3-7-25-8-4-11)10-21-16(24)14-13(15(18)19)22-12-9-20-5-6-23(12)14/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3,(H,21,24).
What are the key properties of 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide?
2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 166256907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).