[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone

C130H117F2N27O18 — CID 159245606

IUPAC[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CC6(C5)OCCO6)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CC(F)(F)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC6(C5)OCCO6)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCn6cncc6C5)n4c3)ccc2o1
InChIInChI=1S/C23H21F2N5O2.C22H18N6O2.C22H20N4O4.C21H18N4O4.2C21H20N4O3/c1-14-27-18-8-15(2-4-20(18)32-14)16-3-5-21-26-9-19(30(21)10-16)22(31)28-7-6-17(11-28)29-12-23(24,25)13-29;1-14-25-18-8-15(2-4-20(18)30-14)16-3-5-21-24-10-19(28(21)11-16)22(29)26-6-7-27-13-23-9-17(27)12-26;1-14-24-17-10-15(2-4-19(17)30-14)16-3-5-20-23-11-18(26(20)12-16)21(27)25-7-6-22(13-25)28-8-9-29-22;1-13-23-16-8-14(2-4-18(16)29-13)15-3-5-19-22-9-17(25(19)10-15)20(26)24-11-21(12-24)27-6-7-28-21;2*1-13-12-27-8-7-24(13)21(26)18-10-22-20-6-4-16(11-25(18)20)15-3-5-19-17(9-15)23-14(2)28-19/h2-5,8-10,17H,6-7,11-13H2,1H3;2-5,8-11,13H,6-7,12H2,1H3;2-5,10-12H,6-9,13H2,1H3;2-5,8-10H,6-7,11-12H2,1H3;2*3-6,9-11,13H,7-8,12H2,1-2H3/t;;;;2*13-/m....10/s1
InChIKeyKUQKHTNTICLFBK-GSASNKPLSA-N
MW2383.53 g/mol
LogP19.23
Rot. Bonds13

About [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone

[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone (PubChem CID 159245606) has the molecular formula C130H117F2N27O18 and a molecular weight of 2383.53 g/mol. Its IUPAC name is [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone
PubChem CID159245606
Molecular FormulaC130H117F2N27O18
Molecular Weight2383.53 g/mol
Exact Mass2381.90
IUPAC Name[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CC6(C5)OCCO6)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CC(F)(F)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC6(C5)OCCO6)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCn6cncc6C5)n4c3)ccc2o1
InChIInChI=1S/C23H21F2N5O2.C22H18N6O2.C22H20N4O4.C21H18N4O4.2C21H20N4O3/c1-14-27-18-8-15(2-4-20(18)32-14)16-3-5-21-26-9-19(30(21)10-16)22(31)28-7-6-17(11-28)29-12-23(24,25)13-29;1-14-25-18-8-15(2-4-20(18)30-14)16-3-5-21-24-10-19(28(21)11-16)22(29)26-6-7-27-13-23-9-17(27)12-26;1-14-24-17-10-15(2-4-19(17)30-14)16-3-5-20-23-11-18(26(20)12-16)21(27)25-7-6-22(13-25)28-8-9-29-22;1-13-23-16-8-14(2-4-18(16)29-13)15-3-5-19-22-9-17(25(19)10-15)20(26)24-11-21(12-24)27-6-7-28-21;2*1-13-12-27-8-7-24(13)21(26)18-10-22-20-6-4-16(11-25(18)20)15-3-5-19-17(9-15)23-14(2)28-19/h2-5,8-10,17H,6-7,11-13H2,1H3;2-5,8-11,13H,6-7,12H2,1H3;2-5,10-12H,6-9,13H2,1H3;2-5,8-10H,6-7,11-12H2,1H3;2*3-6,9-11,13H,7-8,12H2,1-2H3/t;;;;2*13-/m....10/s1
InChIKeyKUQKHTNTICLFBK-GSASNKPLSA-N
XLogP19.23
TPSA458.28 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds13
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002383.53
LogP ≤ 519.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 70798741
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 70798783
[3-(3,3-Difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241124
[3-(3,3-Difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241131
[3-(3,3-Difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241132
7-[1-[5-[1-[8-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-methylpropan-2-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpropan-2-yl]-2-pyridin-3-yl-1,3-benzoxazole
CID 139382904
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-2-methyl-1,3-benzoxazole;2-methyl-5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole
CID 157232728
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 157242209
(4,4-Difluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 158954770
(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3S)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 159045780
(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 159129937

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone (CID 159245606) is [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone is Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC6(C5)OCCO6)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CC(F)(F)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC6(C5)OCCO6)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCn6cncc6C5)n4c3)ccc2o1.
What is the InChIKey of [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone?
The InChIKey is KUQKHTNTICLFBK-GSASNKPLSA-N. The full InChI is InChI=1S/C23H21F2N5O2.C22H18N6O2.C22H20N4O4.C21H18N4O4.2C21H20N4O3/c1-14-27-18-8-15(2-4-20(18)32-14)16-3-5-21-26-9-19(30(21)10-16)22(31)28-7-6-17(11-28)29-12-23(24,25)13-29;1-14-25-18-8-15(2-4-20(18)30-14)16-3-5-21-24-10-19(28(21)11-16)22(29)26-6-7-27-13-23-9-17(27)12-26;1-14-24-17-10-15(2-4-19(17)30-14)16-3-5-20-23-11-18(26(20)12-16)21(27)25-7-6-22(13-25)28-8-9-29-22;1-13-23-16-8-14(2-4-18(16)29-13)15-3-5-19-22-9-17(25(19)10-15)20(26)24-11-21(12-24)27-6-7-28-21;2*1-13-12-27-8-7-24(13)21(26)18-10-22-20-6-4-16(11-25(18)20)15-3-5-19-17(9-15)23-14(2)28-19/h2-5,8-10,17H,6-7,11-13H2,1H3;2-5,8-11,13H,6-7,12H2,1H3;2-5,10-12H,6-9,13H2,1H3;2-5,8-10H,6-7,11-12H2,1H3;2*3-6,9-11,13H,7-8,12H2,1-2H3/t;;;;2*13-/m....10/s1.
What are the key properties of [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone?
[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone has a molecular weight of 2383.53 g/mol, XLogP of 19.23, 13 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;5,8-dioxa-2-azaspiro[3.4]octan-2-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 159245606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).