(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C103H119Cl8N29O4S2 — CID 164977180

About (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 164977180) has the molecular formula C103H119Cl8N29O4S2 and a molecular weight of 2175.04 g/mol. Its IUPAC name is (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 164977180
• Molecular Formula: C103H119Cl8N29O4S2
• Molecular Weight: 2175.04 g/mol
• Exact Mass: 2169.69
• IUPAC Name: (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: CC1(C)CCN(c2ncc(-c3cccc(Cl)c3Cl)c3nccn23)CC1.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c4nccn34)CC2)[C@@H]1N.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cnnc2c1-c1cccc(Cl)c1Cl
• InChI: InChI=1S/C22H25Cl2N5O.C21H24Cl2N6O.C21H26ClN7OS.C20H24ClN7OS.C19H20Cl2N4/c1-13-17(15-4-3-5-16(23)18(15)24)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-12-16(14-4-3-5-15(22)17(14)23)19-27-25-11-29(19)20(26-12)28-8-6-21(7-9-28)10-30-13(2)18(21)24;1-12-16(31-14-3-6-25-18(24)15(14)22)19-26-7-10-29(19)20(27-12)28-8-4-21(5-9-28)11-30-13(2)17(21)23;1-12-16(22)20(11-29-12)3-7-27(8-4-20)14-10-26-19(18-25-6-9-28(14)18)30-13-2-5-24-17(23)15(13)21;1-19(2)6-9-24(10-7-19)18-23-12-14(17-22-8-11-25(17)18)13-4-3-5-15(20)16(13)21/h3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;3-5,11,13,18H,6-10,24H2,1-2H3;3,6-7,10,13,17H,4-5,8-9,11,23H2,1-2H3,(H2,24,25);2,5-6,9-10,12,16H,3-4,7-8,11,22H2,1H3,(H2,23,24);3-5,8,11-12H,6-7,9-10H2,1-2H3/t14-,19+;13-,18+;13-,17+;12-,16+;/m0000./s1
• InChIKey: DYLGVXLRGJVNGQ-GDUBBSQOSA-N
• XLogP: 19.41
• TPSA: 398.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2175.04
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 164977180) is (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-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-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is CC1(C)CCN(c2ncc(-c3cccc(Cl)c3Cl)c3nccn23)CC1.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c4nccn34)CC2)[C@@H]1N.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cnnc2c1-c1cccc(Cl)c1Cl.

What is the InChIKey of (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is DYLGVXLRGJVNGQ-GDUBBSQOSA-N. The full InChI is InChI=1S/C22H25Cl2N5O.C21H24Cl2N6O.C21H26ClN7OS.C20H24ClN7OS.C19H20Cl2N4/c1-13-17(15-4-3-5-16(23)18(15)24)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-12-16(14-4-3-5-15(22)17(14)23)19-27-25-11-29(19)20(26-12)28-8-6-21(7-9-28)10-30-13(2)18(21)24;1-12-16(31-14-3-6-25-18(24)15(14)22)19-26-7-10-29(19)20(27-12)28-8-4-21(5-9-28)11-30-13(2)17(21)23;1-12-16(22)20(11-29-12)3-7-27(8-4-20)14-10-26-19(18-25-6-9-28(14)18)30-13-2-5-24-17(23)15(13)21;1-19(2)6-9-24(10-7-19)18-23-12-14(17-22-8-11-25(17)18)13-4-3-5-15(20)16(13)21/h3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;3-5,11,13,18H,6-10,24H2,1-2H3;3,6-7,10,13,17H,4-5,8-9,11,23H2,1-2H3,(H2,24,25);2,5-6,9-10,12,16H,3-4,7-8,11,22H2,1H3,(H2,23,24);3-5,8,11-12H,6-7,9-10H2,1-2H3/t14-,19+;13-,18+;13-,17+;12-,16+;/m0000./s1.

What are the key properties of (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2175.04 g/mol, XLogP of 19.41, 12 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 164977180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).