tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine

C56H53F13N14O5 — CID 161107933

IUPACtert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESCOc1nc(-c2cnc3ccc(F)cn23)nc(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(F)(F)F.COc1nc(-c2cnc3ccc(F)cn23)nc(C[C@@H]2CCCNC2)c1C(F)(F)F.COc1nc(-c2cnc3ccc(F)cn23)nc(F)c1C(F)(F)F
InChIInChI=1S/C24H27F4N5O3.C19H19F4N5O.C13H7F5N4O/c1-23(2,3)36-22(34)32-9-5-6-14(12-32)10-16-19(24(26,27)28)21(35-4)31-20(30-16)17-11-29-18-8-7-15(25)13-33(17)18;1-29-18-16(19(21,22)23)13(7-11-3-2-6-24-8-11)26-17(27-18)14-9-25-15-5-4-12(20)10-28(14)15;1-23-12-9(13(16,17)18)10(15)20-11(21-12)7-4-19-8-3-2-6(14)5-22(7)8/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3;4-5,9-11,24H,2-3,6-8H2,1H3;2-5H,1H3/t14-;11-;/m00./s1
InChIKeyUJHNKUFXZQECHD-QYQBPCCFSA-N
MW1249.11 g/mol
LogP11.74
Rot. Bonds10

About tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine

tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 161107933) has the molecular formula C56H53F13N14O5 and a molecular weight of 1249.11 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID161107933
Molecular FormulaC56H53F13N14O5
Molecular Weight1249.11 g/mol
Exact Mass1248.41
IUPAC Nametert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESCOc1nc(-c2cnc3ccc(F)cn23)nc(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(F)(F)F.COc1nc(-c2cnc3ccc(F)cn23)nc(C[C@@H]2CCCNC2)c1C(F)(F)F.COc1nc(-c2cnc3ccc(F)cn23)nc(F)c1C(F)(F)F
InChIInChI=1S/C24H27F4N5O3.C19H19F4N5O.C13H7F5N4O/c1-23(2,3)36-22(34)32-9-5-6-14(12-32)10-16-19(24(26,27)28)21(35-4)31-20(30-16)17-11-29-18-8-7-15(25)13-33(17)18;1-29-18-16(19(21,22)23)13(7-11-3-2-6-24-8-11)26-17(27-18)14-9-25-15-5-4-12(20)10-28(14)15;1-23-12-9(13(16,17)18)10(15)20-11(21-12)7-4-19-8-3-2-6(14)5-22(7)8/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3;4-5,9-11,24H,2-3,6-8H2,1H3;2-5H,1H3/t14-;11-;/m00./s1
InChIKeyUJHNKUFXZQECHD-QYQBPCCFSA-N
XLogP11.74
TPSA198.50 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.11
LogP ≤ 511.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

US10703755, Example 281
CID 138701066
US10703755, Example 430
CID 138701084
US10703755, Example 374
CID 138700821
US10703755, Example 369
CID 138700924
US10703755, Example 355
CID 138701054
5-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-(trifluoromethyl)-3,6,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]methyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 178255045
5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-amine
CID 178255050
5-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-11-(trifluoromethyl)-8-[[4-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]phenyl]methyl]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 178255085
9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
CID 54767040
4-[(1R)-1-[6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[2-methyl-9-(oxan-2-yl)purin-6-yl]-3-pyridinyl]ethyl]piperazine-1-carboxylic acid
CID 68513982
4-[(1R)-1-[6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[2-methyl-9-(oxan-2-yl)purin-6-yl]-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylic acid
CID 68515435
Tert-butyl 4-((1r)-1-(6-(5-fluoro-6-methoxypyridin-3-ylamino)-5-(2-methyl-9-(tetrahydro-2h-pyran-2-yl)-9h-purin-6-yl)pyridin-3-yl)ethyl)piperazine-1-carboxylate
CID 68515999

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 161107933) is tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine is COc1nc(-c2cnc3ccc(F)cn23)nc(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(F)(F)F.COc1nc(-c2cnc3ccc(F)cn23)nc(C[C@@H]2CCCNC2)c1C(F)(F)F.COc1nc(-c2cnc3ccc(F)cn23)nc(F)c1C(F)(F)F.
What is the InChIKey of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is UJHNKUFXZQECHD-QYQBPCCFSA-N. The full InChI is InChI=1S/C24H27F4N5O3.C19H19F4N5O.C13H7F5N4O/c1-23(2,3)36-22(34)32-9-5-6-14(12-32)10-16-19(24(26,27)28)21(35-4)31-20(30-16)17-11-29-18-8-7-15(25)13-33(17)18;1-29-18-16(19(21,22)23)13(7-11-3-2-6-24-8-11)26-17(27-18)14-9-25-15-5-4-12(20)10-28(14)15;1-23-12-9(13(16,17)18)10(15)20-11(21-12)7-4-19-8-3-2-6(14)5-22(7)8/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3;4-5,9-11,24H,2-3,6-8H2,1H3;2-5H,1H3/t14-;11-;/m00./s1.
What are the key properties of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 1249.11 g/mol, XLogP of 11.74, 10 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;6-fluoro-3-[4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-fluoro-3-[4-methoxy-6-[[(3S)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 161107933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).