1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one

C142H125F19N30O15 — CID 157444573

IUPAC1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one
SMILESCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1cc(C(F)(F)F)ccc1F.[2H]C([2H])([2H])Oc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1cc(OC(F)(F)F)ccc1F.[2H]C([2H])([2H])Oc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1ccccc1OC(F)(F)F.[2H]C([2H])([2H])Oc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1ccccc1OC(F)(F)F.[2H]C([2H])([2H])Oc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CCc1cc(F)cc(C)c1OCC1CC1.[2H]C([2H])([2H])c1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C26H26FN5O3.C24H21F4N5O3.C24H22F3N5O3.C23H19F4N5O.C23H20F3N5O3.C22H17F4N5O2/c1-15-9-20(27)10-18(24(15)35-14-16-3-4-16)5-6-22(33)21-11-19(13-29-25(21)34-2)17-7-8-32-23(12-17)30-26(28)31-32;1-12(16-10-15(4-5-19(16)25)36-24(26,27)28)8-20(34)18-11-17(13(2)30-22(18)35-3)14-6-7-33-21(9-14)31-23(29)32-33;1-13(16-6-4-5-7-20(16)35-24(25,26)27)10-19(33)18-12-17(14(2)29-22(18)34-3)15-8-9-32-21(11-15)30-23(28)31-32;1-12(17-10-16(23(25,26)27)3-4-19(17)24)7-20(33)18-8-15(11-29-13(18)2)14-5-6-32-21(9-14)30-22(28)31-32;1-13(16-5-3-4-6-19(16)34-23(24,25)26)9-18(32)17-10-15(12-28-21(17)33-2)14-7-8-31-20(11-14)29-22(27)30-31;1-12-17(9-15(11-28-12)13-6-7-31-20(10-13)29-21(27)30-31)19(32)5-2-14-8-16(3-4-18(14)23)33-22(24,25)26/h7-13,16H,3-6,14H2,1-2H3,(H2,28,31);4-7,9-12H,8H2,1-3H3,(H2,29,32);4-9,11-13H,10H2,1-3H3,(H2,28,31);3-6,8-12H,7H2,1-2H3,(H2,28,31);3-8,10-13H,9H2,1-2H3,(H2,27,30);3-4,6-11H,2,5H2,1H3,(H2,27,30)/i2D3;2*3D3;;2D3;1D3
InChIKeyBSBKLEMUHMKRRT-RPNBCFNBSA-N
MW2867.81 g/mol
LogP28.91
Rot. Bonds46

About 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one

1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 157444573) has the molecular formula C142H125F19N30O15 and a molecular weight of 2867.81 g/mol. Its IUPAC name is 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID157444573
Molecular FormulaC142H125F19N30O15
Molecular Weight2867.81 g/mol
Exact Mass2866.06
IUPAC Name1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one
SMILESCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1cc(C(F)(F)F)ccc1F.[2H]C([2H])([2H])Oc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1cc(OC(F)(F)F)ccc1F.[2H]C([2H])([2H])Oc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1ccccc1OC(F)(F)F.[2H]C([2H])([2H])Oc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1ccccc1OC(F)(F)F.[2H]C([2H])([2H])Oc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CCc1cc(F)cc(C)c1OCC1CC1.[2H]C([2H])([2H])c1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C26H26FN5O3.C24H21F4N5O3.C24H22F3N5O3.C23H19F4N5O.C23H20F3N5O3.C22H17F4N5O2/c1-15-9-20(27)10-18(24(15)35-14-16-3-4-16)5-6-22(33)21-11-19(13-29-25(21)34-2)17-7-8-32-23(12-17)30-26(28)31-32;1-12(16-10-15(4-5-19(16)25)36-24(26,27)28)8-20(34)18-11-17(13(2)30-22(18)35-3)14-6-7-33-21(9-14)31-23(29)32-33;1-13(16-6-4-5-7-20(16)35-24(25,26)27)10-19(33)18-12-17(14(2)29-22(18)34-3)15-8-9-32-21(11-15)30-23(28)31-32;1-12(17-10-16(23(25,26)27)3-4-19(17)24)7-20(33)18-8-15(11-29-13(18)2)14-5-6-32-21(9-14)30-22(28)31-32;1-13(16-5-3-4-6-19(16)34-23(24,25)26)9-18(32)17-10-15(12-28-21(17)33-2)14-7-8-31-20(11-14)29-22(27)30-31;1-12-17(9-15(11-28-12)13-6-7-31-20(10-13)29-21(27)30-31)19(32)5-2-14-8-16(3-4-18(14)23)33-22(24,25)26/h7-13,16H,3-6,14H2,1-2H3,(H2,28,31);4-7,9-12H,8H2,1-3H3,(H2,29,32);4-9,11-13H,10H2,1-3H3,(H2,28,31);3-6,8-12H,7H2,1-2H3,(H2,28,31);3-8,10-13H,9H2,1-2H3,(H2,27,30);3-4,6-11H,2,5H2,1H3,(H2,27,30)/i2D3;2*3D3;;2D3;1D3
InChIKeyBSBKLEMUHMKRRT-RPNBCFNBSA-N
XLogP28.91
TPSA600.09 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds46
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002867.81
LogP ≤ 528.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Analyze 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one (CID 157444573) is 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one is Cc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1cc(C(F)(F)F)ccc1F.[2H]C([2H])([2H])Oc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1cc(OC(F)(F)F)ccc1F.[2H]C([2H])([2H])Oc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1ccccc1OC(F)(F)F.[2H]C([2H])([2H])Oc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CC(C)c1ccccc1OC(F)(F)F.[2H]C([2H])([2H])Oc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CCc1cc(F)cc(C)c1OCC1CC1.[2H]C([2H])([2H])c1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)CCc1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is BSBKLEMUHMKRRT-RPNBCFNBSA-N. The full InChI is InChI=1S/C26H26FN5O3.C24H21F4N5O3.C24H22F3N5O3.C23H19F4N5O.C23H20F3N5O3.C22H17F4N5O2/c1-15-9-20(27)10-18(24(15)35-14-16-3-4-16)5-6-22(33)21-11-19(13-29-25(21)34-2)17-7-8-32-23(12-17)30-26(28)31-32;1-12(16-10-15(4-5-19(16)25)36-24(26,27)28)8-20(34)18-11-17(13(2)30-22(18)35-3)14-6-7-33-21(9-14)31-23(29)32-33;1-13(16-6-4-5-7-20(16)35-24(25,26)27)10-19(33)18-12-17(14(2)29-22(18)34-3)15-8-9-32-21(11-15)30-23(28)31-32;1-12(17-10-16(23(25,26)27)3-4-19(17)24)7-20(33)18-8-15(11-29-13(18)2)14-5-6-32-21(9-14)30-22(28)31-32;1-13(16-5-3-4-6-19(16)34-23(24,25)26)9-18(32)17-10-15(12-28-21(17)33-2)14-7-8-31-20(11-14)29-22(27)30-31;1-12-17(9-15(11-28-12)13-6-7-31-20(10-13)29-21(27)30-31)19(32)5-2-14-8-16(3-4-18(14)23)33-22(24,25)26/h7-13,16H,3-6,14H2,1-2H3,(H2,28,31);4-7,9-12H,8H2,1-3H3,(H2,29,32);4-9,11-13H,10H2,1-3H3,(H2,28,31);3-6,8-12H,7H2,1-2H3,(H2,28,31);3-8,10-13H,9H2,1-2H3,(H2,27,30);3-4,6-11H,2,5H2,1H3,(H2,27,30)/i2D3;2*3D3;;2D3;1D3.
What are the key properties of 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one?
1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 2867.81 g/mol, XLogP of 28.91, 46 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-methyl-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]propan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethoxy)-3-pyridinyl]-3-[2-(trifluoromethoxy)phenyl]butan-1-one;1-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(trideuteriomethyl)-3-pyridinyl]-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 157444573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).