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

C19H13ClF3N5O — CID 118094925

IUPACN-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(Cl)cc4)n3)n2c1
InChIInChI=1S/C19H13ClF3N5O/c1-29-13-6-7-16-27-18(19(21,22)23)17(28(16)10-13)14-8-24-9-15(26-14)25-12-4-2-11(20)3-5-12/h2-10H,1H3,(H,25,26)
InChIKeyBDZKFBZGIAULJK-UHFFFAOYSA-N
MW419.79 g/mol
LogP5.22
Rot. Bonds4

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

N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine (PubChem CID 118094925) has the molecular formula C19H13ClF3N5O and a molecular weight of 419.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
PubChem CID118094925
Molecular FormulaC19H13ClF3N5O
Molecular Weight419.79 g/mol
Exact Mass419.08
IUPAC NameN-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(Cl)cc4)n3)n2c1
InChIInChI=1S/C19H13ClF3N5O/c1-29-13-6-7-16-27-18(19(21,22)23)17(28(16)10-13)14-8-24-9-15(26-14)25-12-4-2-11(20)3-5-12/h2-10H,1H3,(H,25,26)
InChIKeyBDZKFBZGIAULJK-UHFFFAOYSA-N
XLogP5.22
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.79
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine (CID 118094925) is N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine is COc1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(Cl)cc4)n3)n2c1.
What is the InChIKey of N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
The InChIKey is BDZKFBZGIAULJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c1-29-13-6-7-16-27-18(19(21,22)23)17(28(16)10-13)14-8-24-9-15(26-14)25-12-4-2-11(20)3-5-12/h2-10H,1H3,(H,25,26).
What are the key properties of N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine?
N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine has a molecular weight of 419.79 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 118094925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).