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

C19H11F6N5O — CID 118094982

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
SMILESFc1cc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)ccc1OC(F)F
InChIInChI=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)
InChIKeyJTIGDEPZUVOYBP-UHFFFAOYSA-N
MW439.32 g/mol
LogP5.29
Rot. Bonds5

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 NameN-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
PubChem CID118094982
Molecular FormulaC19H11F6N5O
Molecular Weight439.32 g/mol
Exact Mass439.09
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
SMILESFc1cc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)ccc1OC(F)F
InChIInChI=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)
InChIKeyJTIGDEPZUVOYBP-UHFFFAOYSA-N
XLogP5.29
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.32
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).