(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C125H140Cl8F6N34OS6 — CID 158134531

About (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 158134531) has the molecular formula C125H140Cl8F6N34OS6 and a molecular weight of 2724.75 g/mol. Its IUPAC name is (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 158134531
• Molecular Formula: C125H140Cl8F6N34OS6
• Molecular Weight: 2724.75 g/mol
• Exact Mass: 2718.77
• IUPAC Name: (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
• SMILES: CNC1CC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)C2)C1.CNC1CCCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1.CN[C@@H]1CCCC12CCN(c1ncc(Sc3cc(N)ncc3C(F)(F)F)c3nccn13)CC2.CN[C@@H]1CCCC12CCN(c1ncc(Sc3cncnc3C(F)(F)F)c3nccn13)CC2.CN[C@@H]1[C@H](C)OCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.Clc1cccc(Sc2cnc(N3CCC4(CCCCN4)CC3)n3ccnc23)c1Cl
• InChI: InChI=1S/C22H25Cl2N5OS.C22H26F3N7S.C21H23Cl2N5S.C21H24F3N7S.C20H21Cl2N5S.C19H21Cl2N5S/c1-14-19(25-2)22(13-30-14)6-9-28(10-7-22)21-27-12-17(20-26-8-11-29(20)21)31-16-5-3-4-15(23)18(16)24;1-27-17-3-2-4-21(17)5-8-31(9-6-21)20-30-13-16(19-28-7-10-32(19)20)33-15-11-18(26)29-12-14(15)22(23,24)25;22-15-4-3-5-16(18(15)23)29-17-14-25-20(28-13-10-24-19(17)28)27-11-7-21(8-12-27)6-1-2-9-26-21;1-25-16-3-2-4-20(16)5-8-30(9-6-20)19-28-12-15(18-27-7-10-31(18)19)32-14-11-26-13-29-17(14)21(22,23)24;1-23-13-9-20(10-13)5-7-26(12-20)19-25-11-16(18-24-6-8-27(18)19)28-15-4-2-3-14(21)17(15)22;1-22-13-4-3-9-25(10-7-13)19-24-12-16(18-23-8-11-26(18)19)27-15-6-2-5-14(20)17(15)21/h3-5,8,11-12,14,19,25H,6-7,9-10,13H2,1-2H3;7,10-13,17,27H,2-6,8-9H2,1H3,(H2,26,29);3-5,10,13-14,26H,1-2,6-9,11-12H2;7,10-13,16,25H,2-6,8-9H2,1H3;2-4,6,8,11,13,23H,5,7,9-10,12H2,1H3;2,5-6,8,11-13,22H,3-4,7,9-10H2,1H3/t14-,19+;17-;;16-;;/m01.1../s1
• InChIKey: FTENSXBKGVTRJY-JYOSTJRQSA-N
• XLogP: 27.89
• TPSA: 346.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 23
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2724.75
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 158134531) is (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is CNC1CC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)C2)C1.CNC1CCCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1.CN[C@@H]1CCCC12CCN(c1ncc(Sc3cc(N)ncc3C(F)(F)F)c3nccn13)CC2.CN[C@@H]1CCCC12CCN(c1ncc(Sc3cncnc3C(F)(F)F)c3nccn13)CC2.CN[C@@H]1[C@H](C)OCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.Clc1cccc(Sc2cnc(N3CCC4(CCCCN4)CC3)n3ccnc23)c1Cl.

What is the InChIKey of (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

The InChIKey is FTENSXBKGVTRJY-JYOSTJRQSA-N. The full InChI is InChI=1S/C22H25Cl2N5OS.C22H26F3N7S.C21H23Cl2N5S.C21H24F3N7S.C20H21Cl2N5S.C19H21Cl2N5S/c1-14-19(25-2)22(13-30-14)6-9-28(10-7-22)21-27-12-17(20-26-8-11-29(20)21)31-16-5-3-4-15(23)18(16)24;1-27-17-3-2-4-21(17)5-8-31(9-6-21)20-30-13-16(19-28-7-10-32(19)20)33-15-11-18(26)29-12-14(15)22(23,24)25;22-15-4-3-5-16(18(15)23)29-17-14-25-20(28-13-10-24-19(17)28)27-11-7-21(8-12-27)6-1-2-9-26-21;1-25-16-3-2-4-20(16)5-8-30(9-6-20)19-28-12-15(18-27-7-10-31(18)19)32-14-11-26-13-29-17(14)21(22,23)24;1-23-13-9-20(10-13)5-7-26(12-20)19-25-11-16(18-24-6-8-27(18)19)28-15-4-2-3-14(21)17(15)22;1-22-13-4-3-9-25(10-7-13)19-24-12-16(18-23-8-11-26(18)19)27-15-6-2-5-14(20)17(15)21/h3-5,8,11-12,14,19,25H,6-7,9-10,13H2,1-2H3;7,10-13,17,27H,2-6,8-9H2,1H3,(H2,26,29);3-5,10,13-14,26H,1-2,6-9,11-12H2;7,10-13,16,25H,2-6,8-9H2,1H3;2-4,6,8,11,13,23H,5,7,9-10,12H2,1H3;2,5-6,8,11-13,22H,3-4,7,9-10H2,1H3/t14-,19+;17-;;16-;;/m01.1../s1.

What are the key properties of (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?

(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2724.75 g/mol, XLogP of 27.89, 23 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;9-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1,9-diazaspiro[5.5]undecane;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine;6-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-6-azaspiro[3.4]octan-2-amine;1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine;(4R)-N-methyl-8-[8-[4-(trifluoromethyl)pyrimidin-5-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 158134531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).