2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C97H72F20N30O3 — CID 158334455

IUPAC2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCC1=Nc2ccc(F)cc2C1c1nc(N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(OC(F)F)c(F)c2)nc(-c2c(C3CC3)nc3ccc(F)cn23)n1
InChIInChI=1S/C21H16F4N6O.C20H15F4N5O.C19H12F6N6.C19H15F3N6O.C18H14F3N7/c22-11-3-6-17-30-18(10-1-2-10)19(31(17)9-11)20-28-15(26)8-16(29-20)27-12-4-5-14(13(23)7-12)32-21(24)25;1-9-18(12-6-10(21)2-4-14(12)26-9)19-28-16(25)8-17(29-19)27-11-3-5-15(13(22)7-11)30-20(23)24;1-8-27-14-5-12(21)13(22)6-15(14)31(8)18-29-16(26)7-17(30-18)28-9-2-3-10(11(20)4-9)19(23,24)25;1-10-24-14-7-2-11(20)8-15(14)28(10)19-26-16(23)9-17(27-19)25-12-3-5-13(6-4-12)29-18(21)22;1-10-24-16-13(3-2-8-23-16)28(10)17-26-14(22)9-15(27-17)25-12-6-4-11(5-7-12)18(19,20)21/h3-10,21H,1-2H2,(H3,26,27,28,29);2-8,18,20H,1H3,(H3,25,27,28,29);2-7H,1H3,(H3,26,28,29,30);2-9,18H,1H3,(H3,23,25,26,27);2-9H,1H3,(H3,22,25,26,27)
InChIKeyGQKGMXOTFLSTJB-UHFFFAOYSA-N
MW2085.81 g/mol
LogP22.73
Rot. Bonds22

About 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 158334455) has the molecular formula C97H72F20N30O3 and a molecular weight of 2085.81 g/mol. Its IUPAC name is 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID158334455
Molecular FormulaC97H72F20N30O3
Molecular Weight2085.81 g/mol
Exact Mass2084.61
IUPAC Name2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCC1=Nc2ccc(F)cc2C1c1nc(N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(OC(F)F)c(F)c2)nc(-c2c(C3CC3)nc3ccc(F)cn23)n1
InChIInChI=1S/C21H16F4N6O.C20H15F4N5O.C19H12F6N6.C19H15F3N6O.C18H14F3N7/c22-11-3-6-17-30-18(10-1-2-10)19(31(17)9-11)20-28-15(26)8-16(29-20)27-12-4-5-14(13(23)7-12)32-21(24)25;1-9-18(12-6-10(21)2-4-14(12)26-9)19-28-16(25)8-17(29-19)27-11-3-5-15(13(22)7-11)30-20(23)24;1-8-27-14-5-12(21)13(22)6-15(14)31(8)18-29-16(26)7-17(30-18)28-9-2-3-10(11(20)4-9)19(23,24)25;1-10-24-14-7-2-11(20)8-15(14)28(10)19-26-16(23)9-17(27-19)25-12-3-5-13(6-4-12)29-18(21)22;1-10-24-16-13(3-2-8-23-16)28(10)17-26-14(22)9-15(27-17)25-12-6-4-11(5-7-12)18(19,20)21/h3-10,21H,1-2H2,(H3,26,27,28,29);2-8,18,20H,1H3,(H3,25,27,28,29);2-7H,1H3,(H3,26,28,29,30);2-9,18H,1H3,(H3,23,25,26,27);2-9H,1H3,(H3,22,25,26,27)
InChIKeyGQKGMXOTFLSTJB-UHFFFAOYSA-N
XLogP22.73
TPSA442.85 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002085.81
LogP ≤ 522.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 158334455) is 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CC1=Nc2ccc(F)cc2C1c1nc(N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(OC(F)F)c(F)c2)nc(-c2c(C3CC3)nc3ccc(F)cn23)n1.
What is the InChIKey of 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is GQKGMXOTFLSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N6O.C20H15F4N5O.C19H12F6N6.C19H15F3N6O.C18H14F3N7/c22-11-3-6-17-30-18(10-1-2-10)19(31(17)9-11)20-28-15(26)8-16(29-20)27-12-4-5-14(13(23)7-12)32-21(24)25;1-9-18(12-6-10(21)2-4-14(12)26-9)19-28-16(25)8-17(29-19)27-11-3-5-15(13(22)7-11)30-20(23)24;1-8-27-14-5-12(21)13(22)6-15(14)31(8)18-29-16(26)7-17(30-18)28-9-2-3-10(11(20)4-9)19(23,24)25;1-10-24-14-7-2-11(20)8-15(14)28(10)19-26-16(23)9-17(27-19)25-12-3-5-13(6-4-12)29-18(21)22;1-10-24-16-13(3-2-8-23-16)28(10)17-26-14(22)9-15(27-17)25-12-6-4-11(5-7-12)18(19,20)21/h3-10,21H,1-2H2,(H3,26,27,28,29);2-8,18,20H,1H3,(H3,25,27,28,29);2-7H,1H3,(H3,26,28,29,30);2-9,18H,1H3,(H3,23,25,26,27);2-9H,1H3,(H3,22,25,26,27).
What are the key properties of 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 2085.81 g/mol, XLogP of 22.73, 22 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5-fluoro-2-methyl-3H-indol-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 158334455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).