N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide

C20H14F3N5O2 — CID 127039553

IUPACN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESNc1nccn2c(-c3cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)cnc12
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)30-15-6-4-12(5-7-15)19(29)27-14-3-1-2-13(10-14)16-11-26-18-17(24)25-8-9-28(16)18/h1-11H,(H2,24,25)(H,27,29)
InChIKeyCXTWFLPFGVVDIY-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.13
Rot. Bonds4

About N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide

N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 127039553) has the molecular formula C20H14F3N5O2 and a molecular weight of 413.36 g/mol. Its IUPAC name is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID127039553
Molecular FormulaC20H14F3N5O2
Molecular Weight413.36 g/mol
Exact Mass413.11
IUPAC NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESNc1nccn2c(-c3cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)cnc12
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)30-15-6-4-12(5-7-15)19(29)27-14-3-1-2-13(10-14)16-11-26-18-17(24)25-8-9-28(16)18/h1-11H,(H2,24,25)(H,27,29)
InChIKeyCXTWFLPFGVVDIY-UHFFFAOYSA-N
XLogP4.13
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide (CID 127039553) is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide is Nc1nccn2c(-c3cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)cnc12.
What is the InChIKey of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is CXTWFLPFGVVDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2/c21-20(22,23)30-15-6-4-12(5-7-15)19(29)27-14-3-1-2-13(10-14)16-11-26-18-17(24)25-8-9-28(16)18/h1-11H,(H2,24,25)(H,27,29).
What are the key properties of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 413.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 127039553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).