4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C150H162N42O10S6 — CID 158020105

IUPAC4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC(=O)Nc1cccc2c(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n4ccnc34)ccnc12.C[C@@H]1OCC2(CCN(c3ncc(Sc4cc(N)nc5ccccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c(-n6cncn6)cccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c(C(=O)O)cccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c(C(N)=O)cccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5ccccc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C26H27N9OS.C26H29N7O2S.C25H27N7O2S.C25H26N6O3S.C24H27N7OS.C24H26N6OS/c1-17-23(27)26(14-36-17)6-10-33(11-7-26)25-31-13-21(24-30-9-12-34(24)25)37-20-5-8-29-22-18(20)3-2-4-19(22)35-16-28-15-32-35;1-16-23(27)26(15-35-16)7-11-32(12-8-26)25-30-14-21(24-29-10-13-33(24)25)36-20-6-9-28-22-18(20)4-3-5-19(22)31-17(2)34;1-15-21(26)25(14-34-15)6-10-31(11-7-25)24-30-13-19(23-29-9-12-32(23)24)35-18-5-8-28-20-16(18)3-2-4-17(20)22(27)33;1-15-21(26)25(14-34-15)6-10-30(11-7-25)24-29-13-19(22-28-9-12-31(22)24)35-18-5-8-27-20-16(18)3-2-4-17(20)23(32)33;1-15-21(26)24(14-32-15)6-9-30(10-7-24)23-28-13-19(22-27-8-11-31(22)23)33-18-12-20(25)29-17-5-3-2-4-16(17)18;1-16-21(25)24(15-31-16)7-11-29(12-8-24)23-28-14-20(22-27-10-13-30(22)23)32-19-6-9-26-18-5-3-2-4-17(18)19/h2-5,8-9,12-13,15-17,23H,6-7,10-11,14,27H2,1H3;3-6,9-10,13-14,16,23H,7-8,11-12,15,27H2,1-2H3,(H,31,34);2-5,8-9,12-13,15,21H,6-7,10-11,14,26H2,1H3,(H2,27,33);2-5,8-9,12-13,15,21H,6-7,10-11,14,26H2,1H3,(H,32,33);2-5,8,11-13,15,21H,6-7,9-10,14,26H2,1H3,(H2,25,29);2-6,9-10,13-14,16,21H,7-8,11-12,15,25H2,1H3/t17-,23+;16-,23+;3*15-,21+;16-,21+/m000000/s1
InChIKeyFFYMWITZJZCMAG-QYKIAWKHSA-N
MW2905.63 g/mol
LogP20.49
Rot. Bonds22

About 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 158020105) has the molecular formula C150H162N42O10S6 and a molecular weight of 2905.63 g/mol. Its IUPAC name is 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID158020105
Molecular FormulaC150H162N42O10S6
Molecular Weight2905.63 g/mol
Exact Mass2903.18
IUPAC Name4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC(=O)Nc1cccc2c(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n4ccnc34)ccnc12.C[C@@H]1OCC2(CCN(c3ncc(Sc4cc(N)nc5ccccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c(-n6cncn6)cccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c(C(=O)O)cccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c(C(N)=O)cccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5ccccc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C26H27N9OS.C26H29N7O2S.C25H27N7O2S.C25H26N6O3S.C24H27N7OS.C24H26N6OS/c1-17-23(27)26(14-36-17)6-10-33(11-7-26)25-31-13-21(24-30-9-12-34(24)25)37-20-5-8-29-22-18(20)3-2-4-19(22)35-16-28-15-32-35;1-16-23(27)26(15-35-16)7-11-32(12-8-26)25-30-14-21(24-29-10-13-33(24)25)36-20-6-9-28-22-18(20)4-3-5-19(22)31-17(2)34;1-15-21(26)25(14-34-15)6-10-31(11-7-25)24-30-13-19(23-29-9-12-32(23)24)35-18-5-8-28-20-16(18)3-2-4-17(20)22(27)33;1-15-21(26)25(14-34-15)6-10-30(11-7-25)24-29-13-19(22-28-9-12-31(22)24)35-18-5-8-27-20-16(18)3-2-4-17(20)23(32)33;1-15-21(26)24(14-32-15)6-9-30(10-7-24)23-28-13-19(22-27-8-11-31(22)23)33-18-12-20(25)29-17-5-3-2-4-16(17)18;1-16-21(25)24(15-31-16)7-11-29(12-8-24)23-28-14-20(22-27-10-13-30(22)23)32-19-6-9-26-18-5-3-2-4-17(18)19/h2-5,8-9,12-13,15-17,23H,6-7,10-11,14,27H2,1H3;3-6,9-10,13-14,16,23H,7-8,11-12,15,27H2,1-2H3,(H,31,34);2-5,8-9,12-13,15,21H,6-7,10-11,14,26H2,1H3,(H2,27,33);2-5,8-9,12-13,15,21H,6-7,10-11,14,26H2,1H3,(H,32,33);2-5,8,11-13,15,21H,6-7,9-10,14,26H2,1H3,(H2,25,29);2-6,9-10,13-14,16,21H,7-8,11-12,15,25H2,1H3/t17-,23+;16-,23+;3*15-,21+;16-,21+/m000000/s1
InChIKeyFFYMWITZJZCMAG-QYKIAWKHSA-N
XLogP20.49
TPSA655.64 Ų
H-Bond Donors10
H-Bond Acceptors55
Rotatable Bonds22
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002905.63
LogP ≤ 520.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1055

Analyze 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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Launch Full Analysis

Related Compounds

US11179397, Example 110
CID 146466958
4-[5-[(3S)-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid
CID 146482836
4-[5-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid
CID 146535880
lithium;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;methane;methyl 4-[5-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate;4-[5-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;hydroxide
CID 157313628
3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;(5-methylpyrimidin-2-yl)methanamine;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 160826139
CID 161255417
CID 161255417
3,5-dimethylbenzonitrile;3,6-dimethylpyrazolo[1,5-a]pyrimidine;2-ethyl-5-methylpyrimidine;7-hydroxy-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;2-methylimidazo[1,2-b]pyridazine;5-methyl-2-propan-2-ylpyrimidine;6-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyrimidine;1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanol;2-methyl-3H-pyrrolo[3,2-b]pyridine;7-methylquinazoline;6-methylthieno[3,2-b]pyridine 1-oxide;3,7,7-trimethylfuro[3,4-b]pyridin-5-one;N,N,5-trimethylpyrimidin-2-amine;3,6,7-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 161936950
4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 164971106
CID 167644331
CID 167644331
lithium;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;methyl 4-[5-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate;4-[5-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;hydroxide
CID 167659372

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 158020105) is 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is CC(=O)Nc1cccc2c(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n4ccnc34)ccnc12.C[C@@H]1OCC2(CCN(c3ncc(Sc4cc(N)nc5ccccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c(-n6cncn6)cccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c(C(=O)O)cccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c(C(N)=O)cccc45)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5ccccc45)c4nccn34)CC2)[C@@H]1N.
What is the InChIKey of 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is FFYMWITZJZCMAG-QYKIAWKHSA-N. The full InChI is InChI=1S/C26H27N9OS.C26H29N7O2S.C25H27N7O2S.C25H26N6O3S.C24H27N7OS.C24H26N6OS/c1-17-23(27)26(14-36-17)6-10-33(11-7-26)25-31-13-21(24-30-9-12-34(24)25)37-20-5-8-29-22-18(20)3-2-4-19(22)35-16-28-15-32-35;1-16-23(27)26(15-35-16)7-11-32(12-8-26)25-30-14-21(24-29-10-13-33(24)25)36-20-6-9-28-22-18(20)4-3-5-19(22)31-17(2)34;1-15-21(26)25(14-34-15)6-10-31(11-7-25)24-30-13-19(23-29-9-12-32(23)24)35-18-5-8-28-20-16(18)3-2-4-17(20)22(27)33;1-15-21(26)25(14-34-15)6-10-30(11-7-25)24-29-13-19(22-28-9-12-31(22)24)35-18-5-8-27-20-16(18)3-2-4-17(20)23(32)33;1-15-21(26)24(14-32-15)6-9-30(10-7-24)23-28-13-19(22-27-8-11-31(22)23)33-18-12-20(25)29-17-5-3-2-4-16(17)18;1-16-21(25)24(15-31-16)7-11-29(12-8-24)23-28-14-20(22-27-10-13-30(22)23)32-19-6-9-26-18-5-3-2-4-17(18)19/h2-5,8-9,12-13,15-17,23H,6-7,10-11,14,27H2,1H3;3-6,9-10,13-14,16,23H,7-8,11-12,15,27H2,1-2H3,(H,31,34);2-5,8-9,12-13,15,21H,6-7,10-11,14,26H2,1H3,(H2,27,33);2-5,8-9,12-13,15,21H,6-7,10-11,14,26H2,1H3,(H,32,33);2-5,8,11-13,15,21H,6-7,9-10,14,26H2,1H3,(H2,25,29);2-6,9-10,13-14,16,21H,7-8,11-12,15,25H2,1H3/t17-,23+;16-,23+;3*15-,21+;16-,21+/m000000/s1.
What are the key properties of 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2905.63 g/mol, XLogP of 20.49, 22 rotatable bonds, 10 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 158020105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).