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

C91H127ClN12O4S3Sn — CID 167551476

IUPACtert-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
SMILESC.C.CCCC[Sn](CCCC)(CCCC)c1nccs1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3NC(=O)OC(C)(C)C)n1.Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NC(=O)OC(C)(C)C)c1.Cl
InChIInChI=1S/C27H32N4O2S.C25H33N3O2.C22H24N4S.3C4H9.C3H2NS.2CH4.ClH.Sn/c1-18-15-20(24-28-11-14-34-24)16-22(29-18)31-12-9-27(10-13-31)17-19-7-5-6-8-21(19)23(27)30-25(32)33-26(2,3)4;1-17-14-18(2)26-21(15-17)28-12-10-25(11-13-28)16-19-8-6-7-9-20(19)22(25)27-23(29)30-24(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,9-10,12-13,17H2,1-4H3,(H,30,32);6-9,14-15,22H,10-13,16H2,1-5H3,(H,27,29);2-5,8,11-13,20H,6-7,9-10,14,23H2,1H3;3*1,3-4H2,2H3;1-2H;2*1H4;1H;/t23-;22-;20-;;;;;;;;/m111......../s1
InChIKeyLEWUZSHYMUZOQH-HNNOVVSXSA-N
MW1703.46 g/mol
LogP22.28
Rot. Bonds17

About 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

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 (PubChem CID 167551476) has the molecular formula C91H127ClN12O4S3Sn and a molecular weight of 1703.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID167551476
Molecular FormulaC91H127ClN12O4S3Sn
Molecular Weight1703.46 g/mol
Exact Mass1702.80
IUPAC Nametert-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
SMILESC.C.CCCC[Sn](CCCC)(CCCC)c1nccs1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3NC(=O)OC(C)(C)C)n1.Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NC(=O)OC(C)(C)C)c1.Cl
InChIInChI=1S/C27H32N4O2S.C25H33N3O2.C22H24N4S.3C4H9.C3H2NS.2CH4.ClH.Sn/c1-18-15-20(24-28-11-14-34-24)16-22(29-18)31-12-9-27(10-13-31)17-19-7-5-6-8-21(19)23(27)30-25(32)33-26(2,3)4;1-17-14-18(2)26-21(15-17)28-12-10-25(11-13-28)16-19-8-6-7-9-20(19)22(25)27-23(29)30-24(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,9-10,12-13,17H2,1-4H3,(H,30,32);6-9,14-15,22H,10-13,16H2,1-5H3,(H,27,29);2-5,8,11-13,20H,6-7,9-10,14,23H2,1H3;3*1,3-4H2,2H3;1-2H;2*1H4;1H;/t23-;22-;20-;;;;;;;;/m111......../s1
InChIKeyLEWUZSHYMUZOQH-HNNOVVSXSA-N
XLogP22.28
TPSA189.74 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001703.46
LogP ≤ 522.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
CID 155774276
4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;tert-butyl 4-[4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 157726820
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
4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride
CID 159069306

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CCCC[Sn](CCCC)(CCCC)c1nccs1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1.Cc1cc(-c2nccs2)cc(N2CCC3(CC2)Cc2ccccc2[C@H]3NC(=O)OC(C)(C)C)n1.Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NC(=O)OC(C)(C)C)c1.Cl.
What is the InChIKey of 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?
The InChIKey is LEWUZSHYMUZOQH-HNNOVVSXSA-N. The full InChI is InChI=1S/C27H32N4O2S.C25H33N3O2.C22H24N4S.3C4H9.C3H2NS.2CH4.ClH.Sn/c1-18-15-20(24-28-11-14-34-24)16-22(29-18)31-12-9-27(10-13-31)17-19-7-5-6-8-21(19)23(27)30-25(32)33-26(2,3)4;1-17-14-18(2)26-21(15-17)28-12-10-25(11-13-28)16-19-8-6-7-9-20(19)22(25)27-23(29)30-24(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,9-10,12-13,17H2,1-4H3,(H,30,32);6-9,14-15,22H,10-13,16H2,1-5H3,(H,27,29);2-5,8,11-13,20H,6-7,9-10,14,23H2,1H3;3*1,3-4H2,2H3;1-2H;2*1H4;1H;/t23-;22-;20-;;;;;;;;/m111......../s1.
What are the key properties of 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?
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 has a molecular weight of 1703.46 g/mol, XLogP of 22.28, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167551476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).