tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone

C132H140Cl7N21O15S5 — CID 159641192

IUPACtert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCC(C)(C)OC(=O)CCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CC(C)(O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CCCCC(=O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CCN(C)C(=O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCN(C(=O)c2cn3c(CO)c(-c4ccc(Cl)cc4)nc3s2)CC1.O=C(c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1)N1CCOCC1
InChIInChI=1S/C27H32ClN3O3.C22H25ClN4O.C18H19ClN4O2S.C17H16ClN3O3S.C17H17ClN2O2S.C16H16ClN3O2S.C15H15ClN2O2S/c1-27(2,3)34-26(33)6-4-5-25(32)30-15-12-19(13-16-30)23-18-31(21-9-7-20(28)8-10-21)24-17-29-14-11-22(23)24;1-25(2)15-22(28)26-11-8-16(9-12-26)20-14-27(18-5-3-17(23)4-6-18)21-13-24-10-7-19(20)21;1-21-6-8-22(9-7-21)17(25)15-10-23-14(11-24)16(20-18(23)26-15)12-2-4-13(19)5-3-12;18-12-3-1-11(2-4-12)15-13(10-22)21-9-14(25-17(21)19-15)16(23)20-5-7-24-8-6-20;1-2-3-4-14(22)15-9-20-13(10-21)16(19-17(20)23-15)11-5-7-12(18)8-6-11;1-3-19(2)15(22)13-8-20-12(9-21)14(18-16(20)23-13)10-4-6-11(17)7-5-10;1-15(2,20)12-7-18-11(8-19)13(17-14(18)21-12)9-3-5-10(16)6-4-9/h7-11,14,17-19H,4-6,12-13,15-16H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;2-5,10,24H,6-9,11H2,1H3;1-4,9,22H,5-8,10H2;5-9,21H,2-4,10H2,1H3;4-8,21H,3,9H2,1-2H3;3-7,19-20H,8H2,1-2H3
InChIKeyMQJJCTXFJWOYOU-UHFFFAOYSA-N
MW2669.21 g/mol
LogP26.44
Rot. Bonds29

About tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone

tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 159641192) has the molecular formula C132H140Cl7N21O15S5 and a molecular weight of 2669.21 g/mol. Its IUPAC name is tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Nametert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID159641192
Molecular FormulaC132H140Cl7N21O15S5
Molecular Weight2669.21 g/mol
Exact Mass2663.73
IUPAC Nametert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCC(C)(C)OC(=O)CCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CC(C)(O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CCCCC(=O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CCN(C)C(=O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCN(C(=O)c2cn3c(CO)c(-c4ccc(Cl)cc4)nc3s2)CC1.O=C(c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1)N1CCOCC1
InChIInChI=1S/C27H32ClN3O3.C22H25ClN4O.C18H19ClN4O2S.C17H16ClN3O3S.C17H17ClN2O2S.C16H16ClN3O2S.C15H15ClN2O2S/c1-27(2,3)34-26(33)6-4-5-25(32)30-15-12-19(13-16-30)23-18-31(21-9-7-20(28)8-10-21)24-17-29-14-11-22(23)24;1-25(2)15-22(28)26-11-8-16(9-12-26)20-14-27(18-5-3-17(23)4-6-18)21-13-24-10-7-19(20)21;1-21-6-8-22(9-7-21)17(25)15-10-23-14(11-24)16(20-18(23)26-15)12-2-4-13(19)5-3-12;18-12-3-1-11(2-4-12)15-13(10-22)21-9-14(25-17(21)19-15)16(23)20-5-7-24-8-6-20;1-2-3-4-14(22)15-9-20-13(10-21)16(19-17(20)23-15)11-5-7-12(18)8-6-11;1-3-19(2)15(22)13-8-20-12(9-21)14(18-16(20)23-13)10-4-6-11(17)7-5-10;1-15(2,20)12-7-18-11(8-19)13(17-14(18)21-12)9-3-5-10(16)6-4-9/h7-11,14,17-19H,4-6,12-13,15-16H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;2-5,10,24H,6-9,11H2,1H3;1-4,9,22H,5-8,10H2;5-9,21H,2-4,10H2,1H3;4-8,21H,3,9H2,1-2H3;3-7,19-20H,8H2,1-2H3
InChIKeyMQJJCTXFJWOYOU-UHFFFAOYSA-N
XLogP26.44
TPSA404.15 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002669.21
LogP ≤ 526.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone with MolForge

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Related Compounds

6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
CID 159702928
6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
CID 161064769
6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
CID 161207585
[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;6-(4-chlorophenyl)-5-(hydroxymethyl)-N-propylimidazo[2,1-b][1,3]thiazole-2-carboxamide;1,3-thiazole-2-carboxamide
CID 173560306

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone (CID 159641192) is tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone is CC(C)(C)OC(=O)CCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CC(C)(O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CCCCC(=O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CCN(C)C(=O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCN(C(=O)c2cn3c(CO)c(-c4ccc(Cl)cc4)nc3s2)CC1.O=C(c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1)N1CCOCC1.
What is the InChIKey of tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is MQJJCTXFJWOYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O3.C22H25ClN4O.C18H19ClN4O2S.C17H16ClN3O3S.C17H17ClN2O2S.C16H16ClN3O2S.C15H15ClN2O2S/c1-27(2,3)34-26(33)6-4-5-25(32)30-15-12-19(13-16-30)23-18-31(21-9-7-20(28)8-10-21)24-17-29-14-11-22(23)24;1-25(2)15-22(28)26-11-8-16(9-12-26)20-14-27(18-5-3-17(23)4-6-18)21-13-24-10-7-19(20)21;1-21-6-8-22(9-7-21)17(25)15-10-23-14(11-24)16(20-18(23)26-15)12-2-4-13(19)5-3-12;18-12-3-1-11(2-4-12)15-13(10-22)21-9-14(25-17(21)19-15)16(23)20-5-7-24-8-6-20;1-2-3-4-14(22)15-9-20-13(10-21)16(19-17(20)23-15)11-5-7-12(18)8-6-11;1-3-19(2)15(22)13-8-20-12(9-21)14(18-16(20)23-13)10-4-6-11(17)7-5-10;1-15(2,20)12-7-18-11(8-19)13(17-14(18)21-12)9-3-5-10(16)6-4-9/h7-11,14,17-19H,4-6,12-13,15-16H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;2-5,10,24H,6-9,11H2,1H3;1-4,9,22H,5-8,10H2;5-9,21H,2-4,10H2,1H3;4-8,21H,3,9H2,1-2H3;3-7,19-20H,8H2,1-2H3.
What are the key properties of tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 2669.21 g/mol, XLogP of 26.44, 29 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]pentan-1-one;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 159641192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).