(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

C133H178Cl6F2N32O6S12 — CID 158399076

IUPAC(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cncn2c1-c1cccc(Cl)c1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cncn2c1-c1cccc(Cl)c1F.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1ccc2cn[nH]c2c1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1cccc(Cl)c1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1cccc(Cl)c1F.S.S.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C23H27N7O.C22H25Cl2N5O.2C22H25ClFN5O.2C22H26ClN5O.12H2S/c1-14-19(16-3-4-17-12-26-28-18(17)11-16)30-10-7-25-21(30)22(27-14)29-8-5-23(6-9-29)13-31-15(2)20(23)24;2*1-13-18(15-4-3-5-16(23)17(15)24)29-11-8-26-20(29)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-13-19(15-4-3-5-16(23)18(15)24)29-12-26-10-17(29)21(27-13)28-8-6-22(7-9-28)11-30-14(2)20(22)25;1-14-18(16-4-3-5-17(23)12-16)28-11-8-25-20(28)21(26-14)27-9-6-22(7-10-27)13-29-15(2)19(22)24;1-14-19(16-4-3-5-17(23)10-16)28-13-25-11-18(28)21(26-14)27-8-6-22(7-9-27)12-29-15(2)20(22)24;;;;;;;;;;;;/h3-4,7,10-12,15,20H,5-6,8-9,13,24H2,1-2H3,(H,26,28);2*3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;3-5,10,12,14,20H,6-9,11,25H2,1-2H3;3-5,8,11-12,15,19H,6-7,9-10,13,24H2,1-2H3;3-5,10-11,13,15,20H,6-9,12,24H2,1-2H3;12*1H2/t15-,20+;2*14-,19+;14-,20+;15-,19+;15-,20+;;;;;;;;;;;;/m000000............/s1
InChIKeyGXWMZBNXMZCAQH-KDQMEZFHSA-N
MW2956.62 g/mol
LogP23.65
Rot. Bonds12

About (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (PubChem CID 158399076) has the molecular formula C133H178Cl6F2N32O6S12 and a molecular weight of 2956.62 g/mol. Its IUPAC name is (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.

Molecular Properties

Compound Name(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
PubChem CID158399076
Molecular FormulaC133H178Cl6F2N32O6S12
Molecular Weight2956.62 g/mol
Exact Mass2950.94
IUPAC Name(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cncn2c1-c1cccc(Cl)c1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cncn2c1-c1cccc(Cl)c1F.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1ccc2cn[nH]c2c1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1cccc(Cl)c1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1cccc(Cl)c1F.S.S.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C23H27N7O.C22H25Cl2N5O.2C22H25ClFN5O.2C22H26ClN5O.12H2S/c1-14-19(16-3-4-17-12-26-28-18(17)11-16)30-10-7-25-21(30)22(27-14)29-8-5-23(6-9-29)13-31-15(2)20(23)24;2*1-13-18(15-4-3-5-16(23)17(15)24)29-11-8-26-20(29)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-13-19(15-4-3-5-16(23)18(15)24)29-12-26-10-17(29)21(27-13)28-8-6-22(7-9-28)11-30-14(2)20(22)25;1-14-18(16-4-3-5-17(23)12-16)28-11-8-25-20(28)21(26-14)27-9-6-22(7-10-27)13-29-15(2)19(22)24;1-14-19(16-4-3-5-17(23)10-16)28-13-25-11-18(28)21(26-14)27-8-6-22(7-9-27)12-29-15(2)20(22)24;;;;;;;;;;;;/h3-4,7,10-12,15,20H,5-6,8-9,13,24H2,1-2H3,(H,26,28);2*3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;3-5,10,12,14,20H,6-9,11,25H2,1-2H3;3-5,8,11-12,15,19H,6-7,9-10,13,24H2,1-2H3;3-5,10-11,13,15,20H,6-9,12,24H2,1-2H3;12*1H2/t15-,20+;2*14-,19+;14-,20+;15-,19+;15-,20+;;;;;;;;;;;;/m000000............/s1
InChIKeyGXWMZBNXMZCAQH-KDQMEZFHSA-N
XLogP23.65
TPSA440.76 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds12
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002956.62
LogP ≤ 523.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane with MolForge

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Related Compounds

1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]-N-methylmethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine
CID 160316580
CID 157152864
CID 157152864
[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(methylamino)-4-pyridinyl]-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[3-[3-chloro-2-(ethylamino)-4-pyridinyl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 157525888
1-[3-(2-chloro-6-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoro-3-methyl-8-azaspiro[4.5]decan-4-amine;4-methyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine;(4R)-8-[7-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-8-azaspiro[4.5]decan-4-amine
CID 157615861
(3S,4S)-8-[8-(5-chloro-1H-indazol-6-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
CID 157850799
(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane
CID 158168901
(3S,4S)-8-[8-(4-chloro-1H-indazol-6-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(5-chloro-1H-indazol-6-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(1H-indazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(1H-indazol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindol-2-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
CID 158861720
(3S,4S)-8-[8-(4-chloro-1H-indazol-6-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
CID 158868905
3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
CID 159366968
3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 159399496
5-tert-butyl-3-chloro-2,3-dihydro-1H-indole;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,3-dimethylmorpholine;4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-3-fluoro-1H-indole;5-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-indole;5-tert-butyl-1-methylindole;4-tert-butyl-3-methylmorpholine;5-tert-butyl-6-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine
CID 159896723
3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine
CID 160199451

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
The IUPAC name of (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (CID 158399076) is (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.
What is the SMILES notation for (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
The canonical SMILES for (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cncn2c1-c1cccc(Cl)c1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cncn2c1-c1cccc(Cl)c1F.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1ccc2cn[nH]c2c1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1cccc(Cl)c1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1-c1cccc(Cl)c1F.S.S.S.S.S.S.S.S.S.S.S.S.
What is the InChIKey of (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
The InChIKey is GXWMZBNXMZCAQH-KDQMEZFHSA-N. The full InChI is InChI=1S/C23H27N7O.C22H25Cl2N5O.2C22H25ClFN5O.2C22H26ClN5O.12H2S/c1-14-19(16-3-4-17-12-26-28-18(17)11-16)30-10-7-25-21(30)22(27-14)29-8-5-23(6-9-29)13-31-15(2)20(23)24;2*1-13-18(15-4-3-5-16(23)17(15)24)29-11-8-26-20(29)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-13-19(15-4-3-5-16(23)18(15)24)29-12-26-10-17(29)21(27-13)28-8-6-22(7-9-28)11-30-14(2)20(22)25;1-14-18(16-4-3-5-17(23)12-16)28-11-8-25-20(28)21(26-14)27-9-6-22(7-10-27)13-29-15(2)19(22)24;1-14-19(16-4-3-5-17(23)10-16)28-13-25-11-18(28)21(26-14)27-8-6-22(7-9-27)12-29-15(2)20(22)24;;;;;;;;;;;;/h3-4,7,10-12,15,20H,5-6,8-9,13,24H2,1-2H3,(H,26,28);2*3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;3-5,10,12,14,20H,6-9,11,25H2,1-2H3;3-5,8,11-12,15,19H,6-7,9-10,13,24H2,1-2H3;3-5,10-11,13,15,20H,6-9,12,24H2,1-2H3;12*1H2/t15-,20+;2*14-,19+;14-,20+;15-,19+;15-,20+;;;;;;;;;;;;/m000000............/s1.
What are the key properties of (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane has a molecular weight of 2956.62 g/mol, XLogP of 23.65, 12 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-(1H-indazol-6-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is sourced from PubChem (CID 158399076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).