N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one

C192H220Cl4N34O23 — CID 159340298

IUPACN-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one
SMILESC=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1nc(C)ccc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1nccc(C)c1Cl)[C@@H]1CCCNC1.CN(C)Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.CN1Cc2ccnc(N(C(=O)c3ccc(C4=NOC(C)(C)C4=O)cc3)[C@@H]3CCCNC3)c2C1.COc1ccc(Cl)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)n1.Cc1cc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1Cl)[C@@H]1CCCNC1.Cc1ccc(C)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)n1
InChIInChI=1S/C25H29N5O3.C25H31N5O3.C25H30N4O2.C24H27ClN4O2.C24H28N4O3.C23H25ClN4O4.2C23H25ClN4O3/c1-25(2)22(31)21(28-33-25)16-6-8-17(9-7-16)24(32)30(19-5-4-11-26-13-19)23-20-15-29(3)14-18(20)10-12-27-23;1-25(2)22(31)21(28-33-25)17-9-11-18(12-10-17)24(32)30(20-8-6-13-26-15-20)23-19(16-29(3)4)7-5-14-27-23;1-16-8-9-17(2)27-24(16)29(21-7-6-14-26-15-21)18(3)19-10-12-20(13-11-19)22-23(30)25(4,5)31-28-22;1-15-11-13-27-23(20(15)25)29(19-6-5-12-26-14-19)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;1-15-7-8-16(2)26-22(15)28(19-6-5-13-25-14-19)23(30)18-11-9-17(10-12-18)20-21(29)24(3,4)31-27-20;1-23(2)20(29)19(27-32-23)14-6-8-15(9-7-14)22(30)28(16-5-4-12-25-13-16)21-17(24)10-11-18(26-21)31-3;1-14-12-15(8-9-17(14)19-20(29)23(2,3)31-27-19)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21;1-14-12-15(19-20(29)23(2,3)31-27-19)8-9-17(14)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21/h6-10,12,19,26H,4-5,11,13-15H2,1-3H3;5,7,9-12,14,20,26H,6,8,13,15-16H2,1-4H3;8-13,21,26H,3,6-7,14-15H2,1-2,4-5H3;7-11,13,19,26H,2,5-6,12,14H2,1,3-4H3;7-12,19,25H,5-6,13-14H2,1-4H3;6-11,16,25H,4-5,12-13H2,1-3H3;2*5,7-9,11-12,16,25H,4,6,10,13H2,1-3H3/t19-;20-;21-;2*19-;3*16-/m11111111/s1
InChIKeyLGBBJVQSAKAWDD-BTRHOXQYSA-N
MW3513.90 g/mol
LogP26.95
Rot. Bonds37

About N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one

N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one (PubChem CID 159340298) has the molecular formula C192H220Cl4N34O23 and a molecular weight of 3513.90 g/mol. Its IUPAC name is N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one.

Molecular Properties

Compound NameN-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one
PubChem CID159340298
Molecular FormulaC192H220Cl4N34O23
Molecular Weight3513.90 g/mol
Exact Mass3509.58
IUPAC NameN-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one
SMILESC=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1nc(C)ccc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1nccc(C)c1Cl)[C@@H]1CCCNC1.CN(C)Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.CN1Cc2ccnc(N(C(=O)c3ccc(C4=NOC(C)(C)C4=O)cc3)[C@@H]3CCCNC3)c2C1.COc1ccc(Cl)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)n1.Cc1cc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1Cl)[C@@H]1CCCNC1.Cc1ccc(C)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)n1
InChIInChI=1S/C25H29N5O3.C25H31N5O3.C25H30N4O2.C24H27ClN4O2.C24H28N4O3.C23H25ClN4O4.2C23H25ClN4O3/c1-25(2)22(31)21(28-33-25)16-6-8-17(9-7-16)24(32)30(19-5-4-11-26-13-19)23-20-15-29(3)14-18(20)10-12-27-23;1-25(2)22(31)21(28-33-25)17-9-11-18(12-10-17)24(32)30(20-8-6-13-26-15-20)23-19(16-29(3)4)7-5-14-27-23;1-16-8-9-17(2)27-24(16)29(21-7-6-14-26-15-21)18(3)19-10-12-20(13-11-19)22-23(30)25(4,5)31-28-22;1-15-11-13-27-23(20(15)25)29(19-6-5-12-26-14-19)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;1-15-7-8-16(2)26-22(15)28(19-6-5-13-25-14-19)23(30)18-11-9-17(10-12-18)20-21(29)24(3,4)31-27-20;1-23(2)20(29)19(27-32-23)14-6-8-15(9-7-14)22(30)28(16-5-4-12-25-13-16)21-17(24)10-11-18(26-21)31-3;1-14-12-15(8-9-17(14)19-20(29)23(2,3)31-27-19)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21;1-14-12-15(19-20(29)23(2,3)31-27-19)8-9-17(14)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21/h6-10,12,19,26H,4-5,11,13-15H2,1-3H3;5,7,9-12,14,20,26H,6,8,13,15-16H2,1-4H3;8-13,21,26H,3,6-7,14-15H2,1-2,4-5H3;7-11,13,19,26H,2,5-6,12,14H2,1,3-4H3;7-12,19,25H,5-6,13-14H2,1-4H3;6-11,16,25H,4-5,12-13H2,1-3H3;2*5,7-9,11-12,16,25H,4,6,10,13H2,1-3H3/t19-;20-;21-;2*19-;3*16-/m11111111/s1
InChIKeyLGBBJVQSAKAWDD-BTRHOXQYSA-N
XLogP26.95
TPSA652.69 Ų
H-Bond Donors8
H-Bond Acceptors51
Rotatable Bonds37
Heavy Atoms253
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003513.90
LogP ≤ 526.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1051

Analyze N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?
The IUPAC name of N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one (CID 159340298) is N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one.
What is the SMILES notation for N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?
The canonical SMILES for N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one is C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1nc(C)ccc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1nccc(C)c1Cl)[C@@H]1CCCNC1.CN(C)Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.CN1Cc2ccnc(N(C(=O)c3ccc(C4=NOC(C)(C)C4=O)cc3)[C@@H]3CCCNC3)c2C1.COc1ccc(Cl)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)n1.Cc1cc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1Cl)[C@@H]1CCCNC1.Cc1ccc(C)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)n1.
What is the InChIKey of N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?
The InChIKey is LGBBJVQSAKAWDD-BTRHOXQYSA-N. The full InChI is InChI=1S/C25H29N5O3.C25H31N5O3.C25H30N4O2.C24H27ClN4O2.C24H28N4O3.C23H25ClN4O4.2C23H25ClN4O3/c1-25(2)22(31)21(28-33-25)16-6-8-17(9-7-16)24(32)30(19-5-4-11-26-13-19)23-20-15-29(3)14-18(20)10-12-27-23;1-25(2)22(31)21(28-33-25)17-9-11-18(12-10-17)24(32)30(20-8-6-13-26-15-20)23-19(16-29(3)4)7-5-14-27-23;1-16-8-9-17(2)27-24(16)29(21-7-6-14-26-15-21)18(3)19-10-12-20(13-11-19)22-23(30)25(4,5)31-28-22;1-15-11-13-27-23(20(15)25)29(19-6-5-12-26-14-19)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;1-15-7-8-16(2)26-22(15)28(19-6-5-13-25-14-19)23(30)18-11-9-17(10-12-18)20-21(29)24(3,4)31-27-20;1-23(2)20(29)19(27-32-23)14-6-8-15(9-7-14)22(30)28(16-5-4-12-25-13-16)21-17(24)10-11-18(26-21)31-3;1-14-12-15(8-9-17(14)19-20(29)23(2,3)31-27-19)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21;1-14-12-15(19-20(29)23(2,3)31-27-19)8-9-17(14)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21/h6-10,12,19,26H,4-5,11,13-15H2,1-3H3;5,7,9-12,14,20,26H,6,8,13,15-16H2,1-4H3;8-13,21,26H,3,6-7,14-15H2,1-2,4-5H3;7-11,13,19,26H,2,5-6,12,14H2,1,3-4H3;7-12,19,25H,5-6,13-14H2,1-4H3;6-11,16,25H,4-5,12-13H2,1-3H3;2*5,7-9,11-12,16,25H,4,6,10,13H2,1-3H3/t19-;20-;21-;2*19-;3*16-/m11111111/s1.
What are the key properties of N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?
N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one has a molecular weight of 3513.90 g/mol, XLogP of 26.95, 37 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-chloro-4-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,6-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3,6-dimethyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one is sourced from PubChem (CID 159340298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).