(3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C104H107Cl5FN21O3S2 — CID 157114785

IUPAC(3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCN[C@@H]1c2ccc(F)cc2CC12CCN(c1nc(C)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2.CN[C@@H]1c2ccccc2CC12CCN(c1cc(C)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2.COc1ccc2nccc(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n4ccnc34)c2c1.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5cc(Cl)ccc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C28H28Cl2N4.C27H26Cl2FN5.C25H28N6O2S.C24H25ClN6OS/c1-18-16-23(34-15-12-32-27(34)24(18)21-8-5-9-22(29)25(21)30)33-13-10-28(11-14-33)17-19-6-3-4-7-20(19)26(28)31-2;1-16-22(20-4-3-5-21(28)23(20)29)25-32-10-13-35(25)26(33-16)34-11-8-27(9-12-34)15-17-14-18(30)6-7-19(17)24(27)31-2;1-16-22(26)25(15-33-16)6-10-30(11-7-25)24-29-14-21(23-28-9-12-31(23)24)34-20-5-8-27-19-4-3-17(32-2)13-18(19)20;1-15-21(26)24(14-32-15)5-9-30(10-6-24)23-29-13-20(22-28-8-11-31(22)23)33-19-4-7-27-18-12-16(25)2-3-17(18)19/h3-9,12,15-16,26,31H,10-11,13-14,17H2,1-2H3;3-7,10,13-14,24,31H,8-9,11-12,15H2,1-2H3;3-5,8-9,12-14,16,22H,6-7,10-11,15,26H2,1-2H3;2-4,7-8,11-13,15,21H,5-6,9-10,14,26H2,1H3/t26-;24-;16-,22+;15-,21+/m1100/s1
InChIKeyAHGOQTDEFFUOAD-VXOWZCAQSA-N
MW1959.54 g/mol
LogP21.16
Rot. Bonds13

About (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 157114785) has the molecular formula C104H107Cl5FN21O3S2 and a molecular weight of 1959.54 g/mol. Its IUPAC name is (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID157114785
Molecular FormulaC104H107Cl5FN21O3S2
Molecular Weight1959.54 g/mol
Exact Mass1955.67
IUPAC Name(3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCN[C@@H]1c2ccc(F)cc2CC12CCN(c1nc(C)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2.CN[C@@H]1c2ccccc2CC12CCN(c1cc(C)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2.COc1ccc2nccc(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n4ccnc34)c2c1.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5cc(Cl)ccc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C28H28Cl2N4.C27H26Cl2FN5.C25H28N6O2S.C24H25ClN6OS/c1-18-16-23(34-15-12-32-27(34)24(18)21-8-5-9-22(29)25(21)30)33-13-10-28(11-14-33)17-19-6-3-4-7-20(19)26(28)31-2;1-16-22(20-4-3-5-21(28)23(20)29)25-32-10-13-35(25)26(33-16)34-11-8-27(9-12-34)15-17-14-18(30)6-7-19(17)24(27)31-2;1-16-22(26)25(15-33-16)6-10-30(11-7-25)24-29-14-21(23-28-9-12-31(23)24)34-20-5-8-27-19-4-3-17(32-2)13-18(19)20;1-15-21(26)24(14-32-15)5-9-30(10-6-24)23-29-13-20(22-28-8-11-31(22)23)33-19-4-7-27-18-12-16(25)2-3-17(18)19/h3-9,12,15-16,26,31H,10-11,13-14,17H2,1-2H3;3-7,10,13-14,24,31H,8-9,11-12,15H2,1-2H3;3-5,8-9,12-14,16,22H,6-7,10-11,15,26H2,1-2H3;2-4,7-8,11-13,15,21H,5-6,9-10,14,26H2,1H3/t26-;24-;16-,22+;15-,21+/m1100/s1
InChIKeyAHGOQTDEFFUOAD-VXOWZCAQSA-N
XLogP21.16
TPSA250.40 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001959.54
LogP ≤ 521.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 157114785) is (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is CN[C@@H]1c2ccc(F)cc2CC12CCN(c1nc(C)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2.CN[C@@H]1c2ccccc2CC12CCN(c1cc(C)c(-c3cccc(Cl)c3Cl)c3nccn13)CC2.COc1ccc2nccc(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n4ccnc34)c2c1.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5cc(Cl)ccc45)c4nccn34)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is AHGOQTDEFFUOAD-VXOWZCAQSA-N. The full InChI is InChI=1S/C28H28Cl2N4.C27H26Cl2FN5.C25H28N6O2S.C24H25ClN6OS/c1-18-16-23(34-15-12-32-27(34)24(18)21-8-5-9-22(29)25(21)30)33-13-10-28(11-14-33)17-19-6-3-4-7-20(19)26(28)31-2;1-16-22(20-4-3-5-21(28)23(20)29)25-32-10-13-35(25)26(33-16)34-11-8-27(9-12-34)15-17-14-18(30)6-7-19(17)24(27)31-2;1-16-22(26)25(15-33-16)6-10-30(11-7-25)24-29-14-21(23-28-9-12-31(23)24)34-20-5-8-27-19-4-3-17(32-2)13-18(19)20;1-15-21(26)24(14-32-15)5-9-30(10-6-24)23-29-13-20(22-28-8-11-31(22)23)33-19-4-7-27-18-12-16(25)2-3-17(18)19/h3-9,12,15-16,26,31H,10-11,13-14,17H2,1-2H3;3-7,10,13-14,24,31H,8-9,11-12,15H2,1-2H3;3-5,8-9,12-14,16,22H,6-7,10-11,15,26H2,1-2H3;2-4,7-8,11-13,15,21H,5-6,9-10,14,26H2,1H3/t26-;24-;16-,22+;15-,21+/m1100/s1.
What are the key properties of (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 1959.54 g/mol, XLogP of 21.16, 13 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-5-yl]-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-N-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3S,4S)-8-[8-(6-methoxyquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 157114785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).