N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine

C19H11F6N5O — CID 118094982

About N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine (PubChem CID 118094982) has the molecular formula C19H11F6N5O and a molecular weight of 439.32 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
• PubChem CID: 118094982
• Molecular Formula: C19H11F6N5O
• Molecular Weight: 439.32 g/mol
• Exact Mass: 439.09
• IUPAC Name: N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
• SMILES: Fc1cc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)ccc1OC(F)F
• InChI: InChI=1S/C19H11F6N5O/c20-11-7-10(4-5-13(11)31-18(21)22)27-14-9-26-8-12(28-14)16-17(19(23,24)25)29-15-3-1-2-6-30(15)16/h1-9,18H,(H,27,28)
• InChIKey: JTIGDEPZUVOYBP-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 64.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.32
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?

The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine (CID 118094982) is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine.

What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?

The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine is Fc1cc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)ccc1OC(F)F.

What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?

The InChIKey is JTIGDEPZUVOYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N5O/c20-11-7-10(4-5-13(11)31-18(21)22)27-14-9-26-8-12(28-14)16-17(19(23,24)25)29-15-3-1-2-6-30(15)16/h1-9,18H,(H,27,28).

What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine has a molecular weight of 439.32 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 118094982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).