(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

C115H110F7N23O10 — CID 157242209

IUPAC(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
SMILESCc1cc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)CC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CCC(F)(F)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CCN(C)[C@H](C)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)CC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CCC(F)(F)C6)C5)n4c3)ccc2o1
InChIInChI=1S/C25H28N6O2.C24H23F2N5O2.C23H21F2N5O2.C22H19F2N3O2.C21H19FN4O2/c1-16-12-29(9-8-28(16)3)20-14-30(15-20)25(32)22-11-26-24-7-5-19(13-31(22)24)18-4-6-23-21(10-18)27-17(2)33-23;1-15-28-19-10-16(2-4-21(19)33-15)17-3-5-22-27-11-20(31(22)12-17)23(32)29-8-6-18(13-29)30-9-7-24(25,26)14-30;1-14-27-18-8-15(2-4-20(18)32-14)16-3-5-21-26-9-19(30(21)10-16)22(31)29-11-17(12-29)28-7-6-23(24,25)13-28;1-14-10-17-11-15(2-4-19(17)29-14)16-3-5-20-25-12-18(27(20)13-16)21(28)26-8-6-22(23,24)7-9-26;1-13-24-17-10-14(2-4-19(17)28-13)15-3-5-20-23-11-18(26(20)12-15)21(27)25-8-6-16(22)7-9-25/h4-7,10-11,13,16,20H,8-9,12,14-15H2,1-3H3;2-5,10-12,18H,6-9,13-14H2,1H3;2-5,8-10,17H,6-7,11-13H2,1H3;2-5,10-13H,6-9H2,1H3;2-5,10-12,16H,6-9H2,1H3/t16-;;;;/m1..../s1
InChIKeyAVIOBILGOMFOAW-XIYRCBLHSA-N
MW2107.28 g/mol
LogP19.49
Rot. Bonds13

About (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

(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 (PubChem CID 157242209) has the molecular formula C115H110F7N23O10 and a molecular weight of 2107.28 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157242209
Molecular FormulaC115H110F7N23O10
Molecular Weight2107.28 g/mol
Exact Mass2105.87
IUPAC Name(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
SMILESCc1cc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)CC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CCC(F)(F)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CCN(C)[C@H](C)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)CC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CCC(F)(F)C6)C5)n4c3)ccc2o1
InChIInChI=1S/C25H28N6O2.C24H23F2N5O2.C23H21F2N5O2.C22H19F2N3O2.C21H19FN4O2/c1-16-12-29(9-8-28(16)3)20-14-30(15-20)25(32)22-11-26-24-7-5-19(13-31(22)24)18-4-6-23-21(10-18)27-17(2)33-23;1-15-28-19-10-16(2-4-21(19)33-15)17-3-5-22-27-11-20(31(22)12-17)23(32)29-8-6-18(13-29)30-9-7-24(25,26)14-30;1-14-27-18-8-15(2-4-20(18)32-14)16-3-5-21-26-9-19(30(21)10-16)22(31)29-11-17(12-29)28-7-6-23(24,25)13-28;1-14-10-17-11-15(2-4-19(17)29-14)16-3-5-20-25-12-18(27(20)13-16)21(28)26-8-6-22(23,24)7-9-26;1-13-24-17-10-14(2-4-19(17)28-13)15-3-5-20-23-11-18(26(20)12-15)21(27)25-8-6-16(22)7-9-25/h4-7,10-11,13,16,20H,8-9,12,14-15H2,1-3H3;2-5,10-12,18H,6-9,13-14H2,1H3;2-5,8-10,17H,6-7,11-13H2,1H3;2-5,10-13H,6-9H2,1H3;2-5,10-12,16H,6-9H2,1H3/t16-;;;;/m1..../s1
InChIKeyAVIOBILGOMFOAW-XIYRCBLHSA-N
XLogP19.49
TPSA318.27 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.28
LogP ≤ 519.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)CC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CCC(F)(F)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CCN(C)[C@H](C)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)CC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CCC(F)(F)C6)C5)n4c3)ccc2o1.
What is the InChIKey of (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?
The InChIKey is AVIOBILGOMFOAW-XIYRCBLHSA-N. The full InChI is InChI=1S/C25H28N6O2.C24H23F2N5O2.C23H21F2N5O2.C22H19F2N3O2.C21H19FN4O2/c1-16-12-29(9-8-28(16)3)20-14-30(15-20)25(32)22-11-26-24-7-5-19(13-31(22)24)18-4-6-23-21(10-18)27-17(2)33-23;1-15-28-19-10-16(2-4-21(19)33-15)17-3-5-22-27-11-20(31(22)12-17)23(32)29-8-6-18(13-29)30-9-7-24(25,26)14-30;1-14-27-18-8-15(2-4-20(18)32-14)16-3-5-21-26-9-19(30(21)10-16)22(31)29-11-17(12-29)28-7-6-23(24,25)13-28;1-14-10-17-11-15(2-4-19(17)29-14)16-3-5-20-25-12-18(27(20)13-16)21(28)26-8-6-22(23,24)7-9-26;1-13-24-17-10-14(2-4-19(17)28-13)15-3-5-20-23-11-18(26(20)12-15)21(27)25-8-6-16(22)7-9-25/h4-7,10-11,13,16,20H,8-9,12,14-15H2,1-3H3;2-5,10-12,18H,6-9,13-14H2,1H3;2-5,8-10,17H,6-7,11-13H2,1H3;2-5,10-13H,6-9H2,1H3;2-5,10-12,16H,6-9H2,1H3/t16-;;;;/m1..../s1.
What are the key properties of (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?
(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 has a molecular weight of 2107.28 g/mol, XLogP of 19.49, 13 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157242209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).