5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride

C82H92Cl8N18O2S5 — CID 158818958

IUPAC5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride
SMILESC.C.CC(C)(C)[S@@](=O)N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.CC(C)(C)[S@@](=O)N[C@@H]1c2cccnc2CC12CCNCC2.Cl.Clc1cccc(Sc2cnc(Cl)n3ccnc23)c1Cl.N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C28H30Cl2N6OS2.C24H22Cl2N6S.C16H25N3OS.C12H6Cl3N3S.2CH4.ClH/c1-27(2,3)39(37)34-24-18-6-5-11-31-20(18)16-28(24)9-13-35(14-10-28)26-33-17-22(25-32-12-15-36(25)26)38-21-8-4-7-19(29)23(21)30;25-16-4-1-5-18(20(16)26)33-19-14-30-23(32-12-9-29-22(19)32)31-10-6-24(7-11-31)13-17-15(21(24)27)3-2-8-28-17;1-15(2,3)21(20)19-14-12-5-4-8-18-13(12)11-16(14)6-9-17-10-7-16;13-7-2-1-3-8(10(7)14)19-9-6-17-12(15)18-5-4-16-11(9)18;;;/h4-8,11-12,15,17,24,34H,9-10,13-14,16H2,1-3H3;1-5,8-9,12,14,21H,6-7,10-11,13,27H2;4-5,8,14,17,19H,6-7,9-11H2,1-3H3;1-6H;2*1H4;1H/t24-,39-;21-;14-,21-;;;;/m111..../s1
InChIKeyRFVMUUBMJJTDSQ-ROXIGTDTSA-N
MW1805.72 g/mol
LogP20.58
Rot. Bonds12

About 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride

5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride (PubChem CID 158818958) has the molecular formula C82H92Cl8N18O2S5 and a molecular weight of 1805.72 g/mol. Its IUPAC name is 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride
PubChem CID158818958
Molecular FormulaC82H92Cl8N18O2S5
Molecular Weight1805.72 g/mol
Exact Mass1800.38
IUPAC Name5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride
SMILESC.C.CC(C)(C)[S@@](=O)N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.CC(C)(C)[S@@](=O)N[C@@H]1c2cccnc2CC12CCNCC2.Cl.Clc1cccc(Sc2cnc(Cl)n3ccnc23)c1Cl.N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C28H30Cl2N6OS2.C24H22Cl2N6S.C16H25N3OS.C12H6Cl3N3S.2CH4.ClH/c1-27(2,3)39(37)34-24-18-6-5-11-31-20(18)16-28(24)9-13-35(14-10-28)26-33-17-22(25-32-12-15-36(25)26)38-21-8-4-7-19(29)23(21)30;25-16-4-1-5-18(20(16)26)33-19-14-30-23(32-12-9-29-22(19)32)31-10-6-24(7-11-31)13-17-15(21(24)27)3-2-8-28-17;1-15(2,3)21(20)19-14-12-5-4-8-18-13(12)11-16(14)6-9-17-10-7-16;13-7-2-1-3-8(10(7)14)19-9-6-17-12(15)18-5-4-16-11(9)18;;;/h4-8,11-12,15,17,24,34H,9-10,13-14,16H2,1-3H3;1-5,8-9,12,14,21H,6-7,10-11,13,27H2;4-5,8,14,17,19H,6-7,9-11H2,1-3H3;1-6H;2*1H4;1H/t24-,39-;21-;14-,21-;;;;/m111..../s1
InChIKeyRFVMUUBMJJTDSQ-ROXIGTDTSA-N
XLogP20.58
TPSA231.97 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001805.72
LogP ≤ 520.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride?
The IUPAC name of 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride (CID 158818958) is 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride.
What is the SMILES notation for 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride?
The canonical SMILES for 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride is C.C.CC(C)(C)[S@@](=O)N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.CC(C)(C)[S@@](=O)N[C@@H]1c2cccnc2CC12CCNCC2.Cl.Clc1cccc(Sc2cnc(Cl)n3ccnc23)c1Cl.N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride?
The InChIKey is RFVMUUBMJJTDSQ-ROXIGTDTSA-N. The full InChI is InChI=1S/C28H30Cl2N6OS2.C24H22Cl2N6S.C16H25N3OS.C12H6Cl3N3S.2CH4.ClH/c1-27(2,3)39(37)34-24-18-6-5-11-31-20(18)16-28(24)9-13-35(14-10-28)26-33-17-22(25-32-12-15-36(25)26)38-21-8-4-7-19(29)23(21)30;25-16-4-1-5-18(20(16)26)33-19-14-30-23(32-12-9-29-22(19)32)31-10-6-24(7-11-31)13-17-15(21(24)27)3-2-8-28-17;1-15(2,3)21(20)19-14-12-5-4-8-18-13(12)11-16(14)6-9-17-10-7-16;13-7-2-1-3-8(10(7)14)19-9-6-17-12(15)18-5-4-16-11(9)18;;;/h4-8,11-12,15,17,24,34H,9-10,13-14,16H2,1-3H3;1-5,8-9,12,14,21H,6-7,10-11,13,27H2;4-5,8,14,17,19H,6-7,9-11H2,1-3H3;1-6H;2*1H4;1H/t24-,39-;21-;14-,21-;;;;/m111..../s1.
What are the key properties of 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride?
5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride has a molecular weight of 1805.72 g/mol, XLogP of 20.58, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine;(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(R)-N-[(5S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;methane;(R)-2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide;hydrochloride is sourced from PubChem (CID 158818958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).