3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine

C38H27ClF5N9O2 — CID 118094958

IUPAC3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
SMILESCOc1ccc(-c2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1Cl.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H12ClF3N4O.C19H15F2N5O/c1-28-15-6-5-11(8-12(15)20)13-9-24-10-14(25-13)17-18(19(21,22)23)26-16-4-2-3-7-27(16)17;1-12-23-15-4-2-3-5-16(15)26(12)18-11-22-10-17(25-18)24-13-6-8-14(9-7-13)27-19(20)21/h2-10H,1H3;2-11,19H,1H3,(H,24,25)
InChIKeyUTVQNEBPBAKISN-UHFFFAOYSA-N
MW772.14 g/mol
LogP9.61
Rot. Bonds8

About 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine

3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine (PubChem CID 118094958) has the molecular formula C38H27ClF5N9O2 and a molecular weight of 772.14 g/mol. Its IUPAC name is 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
PubChem CID118094958
Molecular FormulaC38H27ClF5N9O2
Molecular Weight772.14 g/mol
Exact Mass771.19
IUPAC Name3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
SMILESCOc1ccc(-c2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1Cl.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H12ClF3N4O.C19H15F2N5O/c1-28-15-6-5-11(8-12(15)20)13-9-24-10-14(25-13)17-18(19(21,22)23)26-16-4-2-3-7-27(16)17;1-12-23-15-4-2-3-5-16(15)26(12)18-11-22-10-17(25-18)24-13-6-8-14(9-7-13)27-19(20)21/h2-10H,1H3;2-11,19H,1H3,(H,24,25)
InChIKeyUTVQNEBPBAKISN-UHFFFAOYSA-N
XLogP9.61
TPSA117.17 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500772.14
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
The IUPAC name of 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine (CID 118094958) is 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
The canonical SMILES for 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine is COc1ccc(-c2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1Cl.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
The InChIKey is UTVQNEBPBAKISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O.C19H15F2N5O/c1-28-15-6-5-11(8-12(15)20)13-9-24-10-14(25-13)17-18(19(21,22)23)26-16-4-2-3-7-27(16)17;1-12-23-15-4-2-3-5-16(15)26(12)18-11-22-10-17(25-18)24-13-6-8-14(9-7-13)27-19(20)21/h2-10H,1H3;2-11,19H,1H3,(H,24,25).
What are the key properties of 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine has a molecular weight of 772.14 g/mol, XLogP of 9.61, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 118094958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).