2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

C119H130N20O12S4 — CID 159821997

IUPAC2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccccc3C)c(C)s2)CC1.CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccccc3C)c(C)s2)CC1.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(C(=O)C5CC5)CC4)sc3C)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(c5ccccc5)CC4)sc3C)ccc21
InChIInChI=1S/C32H33N5O2S.C30H33N5O3S.C29H33N5O4S.C28H31N5O3S/c1-22-8-6-7-11-27(22)31(39)37-15-14-24-20-25(12-13-28(24)37)30-23(2)40-32(34-30)33-29(38)21-35-16-18-36(19-17-35)26-9-4-3-5-10-26;1-19-5-3-4-6-24(19)29(38)35-12-11-22-17-23(9-10-25(22)35)27-20(2)39-30(32-27)31-26(36)18-33-13-15-34(16-14-33)28(37)21-7-8-21;1-4-38-29(37)33-15-13-32(14-16-33)18-25(35)30-28-31-26(20(3)39-28)22-9-10-24-21(17-22)11-12-34(24)27(36)23-8-6-5-7-19(23)2;1-18-6-4-5-7-23(18)27(36)33-11-10-21-16-22(8-9-24(21)33)26-19(2)37-28(30-26)29-25(35)17-31-12-14-32(15-13-31)20(3)34/h3-13,20H,14-19,21H2,1-2H3,(H,33,34,38);3-6,9-10,17,21H,7-8,11-16,18H2,1-2H3,(H,31,32,36);5-10,17H,4,11-16,18H2,1-3H3,(H,30,31,35);4-9,16H,10-15,17H2,1-3H3,(H,29,30,35)
InChIKeyNMIXHWRASZXMQD-UHFFFAOYSA-N
MW2160.74 g/mol
LogP17.59
Rot. Bonds23

About 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 159821997) has the molecular formula C119H130N20O12S4 and a molecular weight of 2160.74 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID159821997
Molecular FormulaC119H130N20O12S4
Molecular Weight2160.74 g/mol
Exact Mass2158.91
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccccc3C)c(C)s2)CC1.CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccccc3C)c(C)s2)CC1.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(C(=O)C5CC5)CC4)sc3C)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(c5ccccc5)CC4)sc3C)ccc21
InChIInChI=1S/C32H33N5O2S.C30H33N5O3S.C29H33N5O4S.C28H31N5O3S/c1-22-8-6-7-11-27(22)31(39)37-15-14-24-20-25(12-13-28(24)37)30-23(2)40-32(34-30)33-29(38)21-35-16-18-36(19-17-35)26-9-4-3-5-10-26;1-19-5-3-4-6-24(19)29(38)35-12-11-22-17-23(9-10-25(22)35)27-20(2)39-30(32-27)31-26(36)18-33-13-15-34(16-14-33)28(37)21-7-8-21;1-4-38-29(37)33-15-13-32(14-16-33)18-25(35)30-28-31-26(20(3)39-28)22-9-10-24-21(17-22)11-12-34(24)27(36)23-8-6-5-7-19(23)2;1-18-6-4-5-7-23(18)27(36)33-11-10-21-16-22(8-9-24(21)33)26-19(2)37-28(30-26)29-25(35)17-31-12-14-32(15-13-31)20(3)34/h3-13,20H,14-19,21H2,1-2H3,(H,33,34,38);3-6,9-10,17,21H,7-8,11-16,18H2,1-2H3,(H,31,32,36);5-10,17H,4,11-16,18H2,1-3H3,(H,30,31,35);4-9,16H,10-15,17H2,1-3H3,(H,29,30,35)
InChIKeyNMIXHWRASZXMQD-UHFFFAOYSA-N
XLogP17.59
TPSA335.56 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002160.74
LogP ≤ 517.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide with MolForge

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Related Compounds

2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde
CID 157418991
6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-1,3-dihydroisoindole-2-carboxamide;6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-2-carboxamide;N-[5-[1-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-2,3-dihydroindol-6-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 165042168
Ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 90448742
N-[5-methyl-4-[1-[2-methyl-5-[6-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalen-2-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 123835067
Tert-butyl 4-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;2-methylbenzaldehyde
CID 144711669
2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide
CID 157127655
2-[4-acetyl-5-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[4-acetyl-5-(3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[4-acetyl-5-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 157192493
2-bromo-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 158563596
[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 158681387
tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 159057990
2-[[3-(aminomethyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl]amino]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide;ethyl N-[[6-[[4-[2-(dimethylamino)ethylcarbamoyl]-1,3-thiazol-2-yl]carbamoyl]-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]methyl]carbamate
CID 160135750
5-[(Z)-[5-(2-anilino-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-3-[2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[4-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]phenyl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one
CID 160497640

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 159821997) is 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is CC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccccc3C)c(C)s2)CC1.CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccccc3C)c(C)s2)CC1.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(C(=O)C5CC5)CC4)sc3C)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(c5ccccc5)CC4)sc3C)ccc21.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is NMIXHWRASZXMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O2S.C30H33N5O3S.C29H33N5O4S.C28H31N5O3S/c1-22-8-6-7-11-27(22)31(39)37-15-14-24-20-25(12-13-28(24)37)30-23(2)40-32(34-30)33-29(38)21-35-16-18-36(19-17-35)26-9-4-3-5-10-26;1-19-5-3-4-6-24(19)29(38)35-12-11-22-17-23(9-10-25(22)35)27-20(2)39-30(32-27)31-26(36)18-33-13-15-34(16-14-33)28(37)21-7-8-21;1-4-38-29(37)33-15-13-32(14-16-33)18-25(35)30-28-31-26(20(3)39-28)22-9-10-24-21(17-22)11-12-34(24)27(36)23-8-6-5-7-19(23)2;1-18-6-4-5-7-23(18)27(36)33-11-10-21-16-22(8-9-24(21)33)26-19(2)37-28(30-26)29-25(35)17-31-12-14-32(15-13-31)20(3)34/h3-13,20H,14-19,21H2,1-2H3,(H,33,34,38);3-6,9-10,17,21H,7-8,11-16,18H2,1-2H3,(H,31,32,36);5-10,17H,4,11-16,18H2,1-3H3,(H,30,31,35);4-9,16H,10-15,17H2,1-3H3,(H,29,30,35).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 2160.74 g/mol, XLogP of 17.59, 23 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 159821997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).