tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride

C91H121ClN10O4S3Sn — CID 158646246

IUPACtert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride
SMILESCCCC[Sn](CCCC)(CCCC)c1nccs1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3CC(=O)OC(C)(C)C)n1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1.Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3CC(=O)OC(C)(C)C)c1.Cl
InChIInChI=1S/C28H33N3O2S.C26H34N2O2.C22H24N4S.3C4H9.C3H2NS.ClH.Sn/c1-19-15-21(26-29-11-14-34-26)16-24(30-19)31-12-9-28(10-13-31)18-20-7-5-6-8-22(20)23(28)17-25(32)33-27(2,3)4;1-18-14-19(2)27-23(15-18)28-12-10-26(11-13-28)17-20-8-6-7-9-21(20)22(26)16-24(29)30-25(3,4)5;1-15-12-17(21-24-8-11-27-21)13-19(25-15)26-9-6-22(7-10-26)14-16-4-2-3-5-18(16)20(22)23;3*1-3-4-2;1-2-5-3-4-1;;/h5-8,11,14-16,23H,9-10,12-13,17-18H2,1-4H3;6-9,14-15,22H,10-13,16-17H2,1-5H3;2-5,8,11-13,20H,6-7,9-10,14,23H2,1H3;3*1,3-4H2,2H3;1-2H;1H;/t23-;22-;20-;;;;;;/m111....../s1
InChIKeyBIEZSMWRAHFFAT-QKTYGZFRSA-N
MW1669.40 g/mol
LogP21.51
Rot. Bonds19

About tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride

tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride (PubChem CID 158646246) has the molecular formula C91H121ClN10O4S3Sn and a molecular weight of 1669.40 g/mol. Its IUPAC name is tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride
PubChem CID158646246
Molecular FormulaC91H121ClN10O4S3Sn
Molecular Weight1669.40 g/mol
Exact Mass1668.74
IUPAC Nametert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride
SMILESCCCC[Sn](CCCC)(CCCC)c1nccs1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3CC(=O)OC(C)(C)C)n1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1.Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3CC(=O)OC(C)(C)C)c1.Cl
InChIInChI=1S/C28H33N3O2S.C26H34N2O2.C22H24N4S.3C4H9.C3H2NS.ClH.Sn/c1-19-15-21(26-29-11-14-34-26)16-24(30-19)31-12-9-28(10-13-31)18-20-7-5-6-8-22(20)23(28)17-25(32)33-27(2,3)4;1-18-14-19(2)27-23(15-18)28-12-10-26(11-13-28)17-20-8-6-7-9-21(20)22(26)16-24(29)30-25(3,4)5;1-15-12-17(21-24-8-11-27-21)13-19(25-15)26-9-6-22(7-10-26)14-16-4-2-3-5-18(16)20(22)23;3*1-3-4-2;1-2-5-3-4-1;;/h5-8,11,14-16,23H,9-10,12-13,17-18H2,1-4H3;6-9,14-15,22H,10-13,16-17H2,1-5H3;2-5,8,11-13,20H,6-7,9-10,14,23H2,1H3;3*1,3-4H2,2H3;1-2H;1H;/t23-;22-;20-;;;;;;/m111....../s1
InChIKeyBIEZSMWRAHFFAT-QKTYGZFRSA-N
XLogP21.51
TPSA165.68 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001669.40
LogP ≤ 521.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Bromomethyl)-2,2-difluoro-1,3-dihydroindene;1-[(2,2-difluoro-1,3-dihydroinden-4-yl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(2,2-difluoro-1,3-dihydroinden-4-yl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
CID 159124361
tert-butyl N-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;methane;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride
CID 167551476

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride?
The IUPAC name of tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride (CID 158646246) is tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride.
What is the SMILES notation for tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride?
The canonical SMILES for tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride is CCCC[Sn](CCCC)(CCCC)c1nccs1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3CC(=O)OC(C)(C)C)n1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1.Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3CC(=O)OC(C)(C)C)c1.Cl.
What is the InChIKey of tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride?
The InChIKey is BIEZSMWRAHFFAT-QKTYGZFRSA-N. The full InChI is InChI=1S/C28H33N3O2S.C26H34N2O2.C22H24N4S.3C4H9.C3H2NS.ClH.Sn/c1-19-15-21(26-29-11-14-34-26)16-24(30-19)31-12-9-28(10-13-31)18-20-7-5-6-8-22(20)23(28)17-25(32)33-27(2,3)4;1-18-14-19(2)27-23(15-18)28-12-10-26(11-13-28)17-20-8-6-7-9-21(20)22(26)16-24(29)30-25(3,4)5;1-15-12-17(21-24-8-11-27-21)13-19(25-15)26-9-6-22(7-10-26)14-16-4-2-3-5-18(16)20(22)23;3*1-3-4-2;1-2-5-3-4-1;;/h5-8,11,14-16,23H,9-10,12-13,17-18H2,1-4H3;6-9,14-15,22H,10-13,16-17H2,1-5H3;2-5,8,11-13,20H,6-7,9-10,14,23H2,1H3;3*1,3-4H2,2H3;1-2H;1H;/t23-;22-;20-;;;;;;/m111....../s1.
What are the key properties of tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride?
tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride has a molecular weight of 1669.40 g/mol, XLogP of 21.51, 19 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1S)-1'-(4,6-dimethyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;tert-butyl 2-[(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]acetate;(1S)-1'-[6-methyl-4-(1,3-thiazol-2-yl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;tributyl(1,3-thiazol-2-yl)stannane;hydrochloride is sourced from PubChem (CID 158646246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).