N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine

C19H11F6N5O3S — CID 118094984

IUPACN-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
SMILESO=S(=O)(c1nc2ccccn2c1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1)C(F)(F)F
InChIInChI=1S/C19H11F6N5O3S/c20-18(21,22)33-12-6-4-11(5-7-12)27-14-10-26-9-13(28-14)16-17(34(31,32)19(23,24)25)29-15-3-1-2-8-30(15)16/h1-10H,(H,27,28)
InChIKeyQEJFEOMHPOJSMN-UHFFFAOYSA-N
MW503.38 g/mol
LogP4.73
Rot. Bonds5

About N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine

N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine (PubChem CID 118094984) has the molecular formula C19H11F6N5O3S and a molecular weight of 503.38 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
PubChem CID118094984
Molecular FormulaC19H11F6N5O3S
Molecular Weight503.38 g/mol
Exact Mass503.05
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
SMILESO=S(=O)(c1nc2ccccn2c1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1)C(F)(F)F
InChIInChI=1S/C19H11F6N5O3S/c20-18(21,22)33-12-6-4-11(5-7-12)27-14-10-26-9-13(28-14)16-17(34(31,32)19(23,24)25)29-15-3-1-2-8-30(15)16/h1-10H,(H,27,28)
InChIKeyQEJFEOMHPOJSMN-UHFFFAOYSA-N
XLogP4.73
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine (CID 118094984) is N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine is O=S(=O)(c1nc2ccccn2c1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1)C(F)(F)F.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
The InChIKey is QEJFEOMHPOJSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N5O3S/c20-18(21,22)33-12-6-4-11(5-7-12)27-14-10-26-9-13(28-14)16-17(34(31,32)19(23,24)25)29-15-3-1-2-8-30(15)16/h1-10H,(H,27,28).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine has a molecular weight of 503.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 118094984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).