N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine

C63H55ClF9N9S — CID 161332410

IUPACN-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(F)c(-c2nc3cccc(C(F)(F)F)n3c2Nc2c(C)cccc2C)c1.Cc1ccc(F)c(-c2nc3cccc(C(F)(F)F)n3c2Nc2c(C)cccc2Cl)c1.Cc1ccc(F)c(-c2nc3scc(C)n3c2NC2CCCC2)c1
InChIInChI=1S/C23H19F4N3.C22H16ClF4N3.C18H20FN3S/c1-13-10-11-17(24)16(12-13)21-22(29-20-14(2)6-4-7-15(20)3)30-18(23(25,26)27)8-5-9-19(30)28-21;1-12-9-10-16(24)14(11-12)20-21(29-19-13(2)5-3-6-15(19)23)30-17(22(25,26)27)7-4-8-18(30)28-20;1-11-7-8-15(19)14(9-11)16-17(20-13-5-3-4-6-13)22-12(2)10-23-18(22)21-16/h4-12,29H,1-3H3;3-11,29H,1-2H3;7-10,13,20H,3-6H2,1-2H3
InChIKeyVLPCXTMAHACLEM-UHFFFAOYSA-N
MW1176.70 g/mol
LogP19.17
Rot. Bonds9

About N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine

N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 161332410) has the molecular formula C63H55ClF9N9S and a molecular weight of 1176.70 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID161332410
Molecular FormulaC63H55ClF9N9S
Molecular Weight1176.70 g/mol
Exact Mass1175.38
IUPAC NameN-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(F)c(-c2nc3cccc(C(F)(F)F)n3c2Nc2c(C)cccc2C)c1.Cc1ccc(F)c(-c2nc3cccc(C(F)(F)F)n3c2Nc2c(C)cccc2Cl)c1.Cc1ccc(F)c(-c2nc3scc(C)n3c2NC2CCCC2)c1
InChIInChI=1S/C23H19F4N3.C22H16ClF4N3.C18H20FN3S/c1-13-10-11-17(24)16(12-13)21-22(29-20-14(2)6-4-7-15(20)3)30-18(23(25,26)27)8-5-9-19(30)28-21;1-12-9-10-16(24)14(11-12)20-21(29-19-13(2)5-3-6-15(19)23)30-17(22(25,26)27)7-4-8-18(30)28-20;1-11-7-8-15(19)14(9-11)16-17(20-13-5-3-4-6-13)22-12(2)10-23-18(22)21-16/h4-12,29H,1-3H3;3-11,29H,1-2H3;7-10,13,20H,3-6H2,1-2H3
InChIKeyVLPCXTMAHACLEM-UHFFFAOYSA-N
XLogP19.17
TPSA87.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001176.70
LogP ≤ 519.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine (CID 161332410) is N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc(F)c(-c2nc3cccc(C(F)(F)F)n3c2Nc2c(C)cccc2C)c1.Cc1ccc(F)c(-c2nc3cccc(C(F)(F)F)n3c2Nc2c(C)cccc2Cl)c1.Cc1ccc(F)c(-c2nc3scc(C)n3c2NC2CCCC2)c1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is VLPCXTMAHACLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3.C22H16ClF4N3.C18H20FN3S/c1-13-10-11-17(24)16(12-13)21-22(29-20-14(2)6-4-7-15(20)3)30-18(23(25,26)27)8-5-9-19(30)28-21;1-12-9-10-16(24)14(11-12)20-21(29-19-13(2)5-3-6-15(19)23)30-17(22(25,26)27)7-4-8-18(30)28-20;1-11-7-8-15(19)14(9-11)16-17(20-13-5-3-4-6-13)22-12(2)10-23-18(22)21-16/h4-12,29H,1-3H3;3-11,29H,1-2H3;7-10,13,20H,3-6H2,1-2H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine?
N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 1176.70 g/mol, XLogP of 19.17, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclopentyl-6-(2-fluoro-5-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine;N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 161332410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).