4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one

C107H122F2N18O6S3 — CID 160723308

About 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one

4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (PubChem CID 160723308) has the molecular formula C107H122F2N18O6S3 and a molecular weight of 1890.47 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.

Molecular Properties

• Compound Name: 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
• PubChem CID: 160723308
• Molecular Formula: C107H122F2N18O6S3
• Molecular Weight: 1890.47 g/mol
• Exact Mass: 1888.89
• IUPAC Name: 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
• SMILES: CC1(C)CC(=O)c2sc(N3CCCCC3)nc2C1.CC1(C)CNC(=O)c2sc(N3CCCC[C@@H]3Cc3c[nH]c4ccccc34)nc2C1.CC1(C)Cc2nc(N3CCCc4ccc(-c5ccccc5)cc43)sc2C(=O)N1.CN(C)CCCC(=O)c1nc(-c2cc(F)cc3c2C=CC3)cc(N2CCOCC2)n1.Fc1cc2c(c(-c3cc(NCCc4cccnc4)nc(N4CCOCC4)n3)c1)C=CC2
• InChI: InChI=1S/C24H24FN5O.C23H27FN4O2.C23H28N4OS.C23H23N3OS.C14H20N2OS/c25-19-13-18-4-1-5-20(18)21(14-19)22-15-23(27-8-6-17-3-2-7-26-16-17)29-24(28-22)30-9-11-31-12-10-30;1-27(2)8-4-7-21(29)23-25-20(15-22(26-23)28-9-11-30-12-10-28)19-14-17(24)13-16-5-3-6-18(16)19;1-23(2)12-19-20(21(28)25-14-23)29-22(26-19)27-10-6-5-7-16(27)11-15-13-24-18-9-4-3-8-17(15)18;1-23(2)14-18-20(21(27)25-23)28-22(24-18)26-12-6-9-16-10-11-17(13-19(16)26)15-7-4-3-5-8-15;1-14(2)8-10-12(11(17)9-14)18-13(15-10)16-6-4-3-5-7-16/h1-3,5,7,13-16H,4,6,8-12H2,(H,27,28,29);3,6,13-15H,4-5,7-12H2,1-2H3;3-4,8-9,13,16,24H,5-7,10-12,14H2,1-2H3,(H,25,28);3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,27);3-9H2,1-2H3/t;;16-;;/m..1../s1
• InChIKey: RTJNOUOPYMAWQE-DCLDFRDVSA-N
• XLogP: 19.74
• TPSA: 261.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.47
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?

The IUPAC name of 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (CID 160723308) is 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.

What is the SMILES notation for 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?

The canonical SMILES for 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is CC1(C)CC(=O)c2sc(N3CCCCC3)nc2C1.CC1(C)CNC(=O)c2sc(N3CCCC[C@@H]3Cc3c[nH]c4ccccc34)nc2C1.CC1(C)Cc2nc(N3CCCc4ccc(-c5ccccc5)cc43)sc2C(=O)N1.CN(C)CCCC(=O)c1nc(-c2cc(F)cc3c2C=CC3)cc(N2CCOCC2)n1.Fc1cc2c(c(-c3cc(NCCc4cccnc4)nc(N4CCOCC4)n3)c1)C=CC2.

What is the InChIKey of 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?

The InChIKey is RTJNOUOPYMAWQE-DCLDFRDVSA-N. The full InChI is InChI=1S/C24H24FN5O.C23H27FN4O2.C23H28N4OS.C23H23N3OS.C14H20N2OS/c25-19-13-18-4-1-5-20(18)21(14-19)22-15-23(27-8-6-17-3-2-7-26-16-17)29-24(28-22)30-9-11-31-12-10-30;1-27(2)8-4-7-21(29)23-25-20(15-22(26-23)28-9-11-30-12-10-28)19-14-17(24)13-16-5-3-6-18(16)19;1-23(2)12-19-20(21(28)25-14-23)29-22(26-19)27-10-6-5-7-16(27)11-15-13-24-18-9-4-3-8-17(15)18;1-23(2)14-18-20(21(27)25-23)28-22(24-18)26-12-6-9-16-10-11-17(13-19(16)26)15-7-4-3-5-8-15;1-14(2)8-10-12(11(17)9-14)18-13(15-10)16-6-4-3-5-7-16/h1-3,5,7,13-16H,4,6,8-12H2,(H,27,28,29);3,6,13-15H,4-5,7-12H2,1-2H3;3-4,8-9,13,16,24H,5-7,10-12,14H2,1-2H3,(H,25,28);3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,27);3-9H2,1-2H3/t;;16-;;/m..1../s1.

What are the key properties of 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?

4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one has a molecular weight of 1890.47 g/mol, XLogP of 19.74, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-1-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]butan-1-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-piperidin-1-yl-4,6-dihydro-1,3-benzothiazol-7-one;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 160723308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).