N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide

C114H134Cl4FN29O6S9 — CID 165040143

IUPACN-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(c1nc(CF)c(Sc3ccnc(N)c3Cl)c3nccn13)CC2.COc1ccc2c(c1)[C@@H](NS(=O)C(C)(C)C)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2.Cc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C31H38ClN7O2S2.C29H33ClFN7OS2.C28H32ClN7O2S2.C26H31ClN8OS3/c1-18-17-39-28(35-18)25(42-23-9-12-34-27(33)24(23)32)19(2)36-29(39)38-13-10-31(11-14-38)16-20-7-8-21(41-6)15-22(20)26(31)37-43(40)30(3,4)5;1-28(2,3)41(39)36-24-19-7-5-4-6-18(19)16-29(24)9-13-37(14-10-29)27-35-20(17-31)23(26-34-12-15-38(26)27)40-21-8-11-33-25(32)22(21)30;1-17-22(39-20-9-12-31-24(30)21(20)29)25-32-13-16-36(25)26(33-17)35-14-10-28(11-15-35)23(34-40(37)27(2,3)4)18-7-5-6-8-19(18)38-28;1-15-19(38-17-5-8-29-22(28)18(17)27)23-30-9-12-35(23)24(32-15)34-10-6-26(7-11-34)13-16-20(37-14-31-16)21(26)33-39(36)25(2,3)4/h7-9,12,15,17,26,37H,10-11,13-14,16H2,1-6H3,(H2,33,34);4-8,11-12,15,24,36H,9-10,13-14,16-17H2,1-3H3,(H2,32,33);5-9,12-13,16,23,34H,10-11,14-15H2,1-4H3,(H2,30,31);5,8-9,12,14,21,33H,6-7,10-11,13H2,1-4H3,(H2,28,29)/t26-,43?;24-,41?;23-,40?;21-,39?/m1111/s1
InChIKeyNZJQHJAJVFBAJE-HNAXMMRSSA-N
MW2455.94 g/mol
LogP22.54
Rot. Bonds22

About N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide

N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide (PubChem CID 165040143) has the molecular formula C114H134Cl4FN29O6S9 and a molecular weight of 2455.94 g/mol. Its IUPAC name is N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
PubChem CID165040143
Molecular FormulaC114H134Cl4FN29O6S9
Molecular Weight2455.94 g/mol
Exact Mass2451.73
IUPAC NameN-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(c1nc(CF)c(Sc3ccnc(N)c3Cl)c3nccn13)CC2.COc1ccc2c(c1)[C@@H](NS(=O)C(C)(C)C)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2.Cc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C31H38ClN7O2S2.C29H33ClFN7OS2.C28H32ClN7O2S2.C26H31ClN8OS3/c1-18-17-39-28(35-18)25(42-23-9-12-34-27(33)24(23)32)19(2)36-29(39)38-13-10-31(11-14-38)16-20-7-8-21(41-6)15-22(20)26(31)37-43(40)30(3,4)5;1-28(2,3)41(39)36-24-19-7-5-4-6-18(19)16-29(24)9-13-37(14-10-29)27-35-20(17-31)23(26-34-12-15-38(26)27)40-21-8-11-33-25(32)22(21)30;1-17-22(39-20-9-12-31-24(30)21(20)29)25-32-13-16-36(25)26(33-17)35-14-10-28(11-15-35)23(34-40(37)27(2,3)4)18-7-5-6-8-19(18)38-28;1-15-19(38-17-5-8-29-22(28)18(17)27)23-30-9-12-35(23)24(32-15)34-10-6-26(7-11-34)13-16-20(37-14-31-16)21(26)33-39(36)25(2,3)4/h7-9,12,15,17,26,37H,10-11,13-14,16H2,1-6H3,(H2,33,34);4-8,11-12,15,24,36H,9-10,13-14,16-17H2,1-3H3,(H2,32,33);5-9,12-13,16,23,34H,10-11,14-15H2,1-4H3,(H2,30,31);5,8-9,12,14,21,33H,6-7,10-11,13H2,1-4H3,(H2,28,29)/t26-,43?;24-,41?;23-,40?;21-,39?/m1111/s1
InChIKeyNZJQHJAJVFBAJE-HNAXMMRSSA-N
XLogP22.54
TPSA437.11 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002455.94
LogP ≤ 522.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide (CID 165040143) is N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(c1nc(CF)c(Sc3ccnc(N)c3Cl)c3nccn13)CC2.COc1ccc2c(c1)[C@@H](NS(=O)C(C)(C)C)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2.Cc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1Sc1ccnc(N)c1Cl.
What is the InChIKey of N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is NZJQHJAJVFBAJE-HNAXMMRSSA-N. The full InChI is InChI=1S/C31H38ClN7O2S2.C29H33ClFN7OS2.C28H32ClN7O2S2.C26H31ClN8OS3/c1-18-17-39-28(35-18)25(42-23-9-12-34-27(33)24(23)32)19(2)36-29(39)38-13-10-31(11-14-38)16-20-7-8-21(41-6)15-22(20)26(31)37-43(40)30(3,4)5;1-28(2,3)41(39)36-24-19-7-5-4-6-18(19)16-29(24)9-13-37(14-10-29)27-35-20(17-31)23(26-34-12-15-38(26)27)40-21-8-11-33-25(32)22(21)30;1-17-22(39-20-9-12-31-24(30)21(20)29)25-32-13-16-36(25)26(33-17)35-14-10-28(11-15-35)23(34-40(37)27(2,3)4)18-7-5-6-8-19(18)38-28;1-15-19(38-17-5-8-29-22(28)18(17)27)23-30-9-12-35(23)24(32-15)34-10-6-26(7-11-34)13-16-20(37-14-31-16)21(26)33-39(36)25(2,3)4/h7-9,12,15,17,26,37H,10-11,13-14,16H2,1-6H3,(H2,33,34);4-8,11-12,15,24,36H,9-10,13-14,16-17H2,1-3H3,(H2,32,33);5-9,12-13,16,23,34H,10-11,14-15H2,1-4H3,(H2,30,31);5,8-9,12,14,21,33H,6-7,10-11,13H2,1-4H3,(H2,28,29)/t26-,43?;24-,41?;23-,40?;21-,39?/m1111/s1.
What are the key properties of N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 2455.94 g/mol, XLogP of 22.54, 22 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 165040143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).