2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine

C74H52Cl2F16N26O3 — CID 158896736

IUPAC2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
SMILESCc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H13F5N6O.C19H14F4N6O.C18H12ClF4N7.C18H13ClF3N7O/c1-8-26-12-6-9(20)2-4-13(12)30(8)19-28-16(25)15(22)17(29-19)27-10-3-5-14(11(21)7-10)31-18(23)24;1-9-25-13-8-10(20)2-7-14(13)29(9)19-27-16(24)15(21)17(28-19)26-11-3-5-12(6-4-11)30-18(22)23;1-8-26-15-12(6-10(19)7-25-15)30(8)17-28-14(24)13(20)16(29-17)27-11-4-2-9(3-5-11)18(21,22)23;1-8-25-15-12(6-9(19)7-24-15)29(8)18-27-14(23)13(20)16(28-18)26-10-2-4-11(5-3-10)30-17(21)22/h2-7,18H,1H3,(H3,25,27,28,29);2-8,18H,1H3,(H3,24,26,27,28);2-7H,1H3,(H3,24,27,28,29);2-7,17H,1H3,(H3,23,26,27,28)
InChIKeyJEXSFQLHEBEPIZ-UHFFFAOYSA-N
MW1728.28 g/mol
LogP17.69
Rot. Bonds18

About 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine

2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine (PubChem CID 158896736) has the molecular formula C74H52Cl2F16N26O3 and a molecular weight of 1728.28 g/mol. Its IUPAC name is 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
PubChem CID158896736
Molecular FormulaC74H52Cl2F16N26O3
Molecular Weight1728.28 g/mol
Exact Mass1726.38
IUPAC Name2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
SMILESCc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H13F5N6O.C19H14F4N6O.C18H12ClF4N7.C18H13ClF3N7O/c1-8-26-12-6-9(20)2-4-13(12)30(8)19-28-16(25)15(22)17(29-19)27-10-3-5-14(11(21)7-10)31-18(23)24;1-9-25-13-8-10(20)2-7-14(13)29(9)19-27-16(24)15(21)17(28-19)26-11-3-5-12(6-4-11)30-18(22)23;1-8-26-15-12(6-10(19)7-25-15)30(8)17-28-14(24)13(20)16(29-17)27-11-4-2-9(3-5-11)18(21,22)23;1-8-25-15-12(6-9(19)7-24-15)29(8)18-27-14(23)13(20)16(28-18)26-10-2-4-11(5-3-10)30-17(21)22/h2-7,18H,1H3,(H3,25,27,28,29);2-8,18H,1H3,(H3,24,26,27,28);2-7H,1H3,(H3,24,27,28,29);2-7,17H,1H3,(H3,23,26,27,28)
InChIKeyJEXSFQLHEBEPIZ-UHFFFAOYSA-N
XLogP17.69
TPSA380.07 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.28
LogP ≤ 517.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-(4-Tert-butylphenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine;2-(4-chlorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 88206385
3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 90178116
1-[2-Chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine
CID 90767090
6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 118094666
3-[6-(4-chlorophenyl)pyrazin-2-yl]-6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylpyrazin-2-amine
CID 118094799
6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094917
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
2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
N-(3-fluoro-4-methoxyphenyl)-3-[[11-[(5-fluoro-3-pyridinyl)amino]-3-[[11-[(6-fluoro-2-pyridinyl)amino]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 123428579
3-[[5-Chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-[4-[4-[5-chloro-2-[[1-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]-2-(fluoromethyl)butoxy]phenyl]imidazo[4,5-c]pyridin-2-one
CID 123783574
N-(2-chloro-3-fluoropyridin-4-yl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-amine
CID 126622330
N-(2-chloro-5-fluoropyridin-4-yl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-amine
CID 126622476

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine (CID 158896736) is 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine is Cc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2cc(F)ccc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)c(F)c(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
The InChIKey is JEXSFQLHEBEPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N6O.C19H14F4N6O.C18H12ClF4N7.C18H13ClF3N7O/c1-8-26-12-6-9(20)2-4-13(12)30(8)19-28-16(25)15(22)17(29-19)27-10-3-5-14(11(21)7-10)31-18(23)24;1-9-25-13-8-10(20)2-7-14(13)29(9)19-27-16(24)15(21)17(28-19)26-11-3-5-12(6-4-11)30-18(22)23;1-8-26-15-12(6-10(19)7-25-15)30(8)17-28-14(24)13(20)16(29-17)27-11-4-2-9(3-5-11)18(21,22)23;1-8-25-15-12(6-9(19)7-24-15)29(8)18-27-14(23)13(20)16(28-18)26-10-2-4-11(5-3-10)30-17(21)22/h2-7,18H,1H3,(H3,25,27,28,29);2-8,18H,1H3,(H3,24,26,27,28);2-7H,1H3,(H3,24,27,28,29);2-7,17H,1H3,(H3,23,26,27,28).
What are the key properties of 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine has a molecular weight of 1728.28 g/mol, XLogP of 17.69, 18 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 158896736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).