(5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C127H124Cl3F9N32S3 — CID 165032448

About (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 165032448) has the molecular formula C127H124Cl3F9N32S3 and a molecular weight of 2472.15 g/mol. Its IUPAC name is (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

• Compound Name: (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
• PubChem CID: 165032448
• Molecular Formula: C127H124Cl3F9N32S3
• Molecular Weight: 2472.15 g/mol
• Exact Mass: 2468.88
• IUPAC Name: (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
• SMILES: Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1-c1ccccc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Nc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F
• InChI: InChI=1S/C26H25Cl2N5S.C26H25F3N6S.C26H25F3N6.C25H24F3N7S.C24H25ClN8/c27-18-6-3-7-20(22(18)28)34-23-19(29)14-21(33-13-10-31-25(23)33)32-11-8-26(9-12-32)15-16-4-1-2-5-17(16)24(26)30;27-26(28,29)23-19(6-3-9-32-23)36-21-18(30)14-20(35-13-10-33-24(21)35)34-11-7-25(8-12-34)15-16-4-1-2-5-17(16)22(25)31;1-16-21(17-5-2-3-7-19(17)26(27,28)29)23-32-11-14-35(23)24(33-16)34-12-8-25(9-13-34)15-20-18(22(25)30)6-4-10-31-20;1-15-19(36-18-5-3-9-31-21(18)25(26,27)28)22-32-10-13-35(22)23(33-15)34-11-6-24(7-12-34)14-17-16(20(24)29)4-2-8-30-17;1-14-18(16-4-8-29-21(27)19(16)25)22-30-9-12-33(22)23(31-14)32-10-5-24(6-11-32)13-17-15(20(24)26)3-2-7-28-17/h1-7,10,13-14,24H,8-9,11-12,15,29-30H2;1-6,9-10,13-14,22H,7-8,11-12,15,30-31H2;2-7,10-11,14,22H,8-9,12-13,15,30H2,1H3;2-5,8-10,13,20H,6-7,11-12,14,29H2,1H3;2-4,7-9,12,20H,5-6,10-11,13,26H2,1H3,(H2,27,29)/t24-;2*22-;2*20-/m11111/s1
• InChIKey: MWHVSHPUIQAUMS-VSQBXQCESA-N
• XLogP: 24.92
• TPSA: 426.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.15
LogP ≤ 5	24.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

The IUPAC name of (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 165032448) is (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

What is the SMILES notation for (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

The canonical SMILES for (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1-c1ccccc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Nc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.

What is the InChIKey of (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

The InChIKey is MWHVSHPUIQAUMS-VSQBXQCESA-N. The full InChI is InChI=1S/C26H25Cl2N5S.C26H25F3N6S.C26H25F3N6.C25H24F3N7S.C24H25ClN8/c27-18-6-3-7-20(22(18)28)34-23-19(29)14-21(33-13-10-31-25(23)33)32-11-8-26(9-12-32)15-16-4-1-2-5-17(16)24(26)30;27-26(28,29)23-19(6-3-9-32-23)36-21-18(30)14-20(35-13-10-33-24(21)35)34-11-7-25(8-12-34)15-16-4-1-2-5-17(16)22(25)31;1-16-21(17-5-2-3-7-19(17)26(27,28)29)23-32-11-14-35(23)24(33-16)34-12-8-25(9-13-34)15-20-18(22(25)30)6-4-10-31-20;1-15-19(36-18-5-3-9-31-21(18)25(26,27)28)22-32-10-13-35(22)23(33-15)34-11-6-24(7-12-34)14-17-16(20(24)29)4-2-8-30-17;1-14-18(16-4-8-29-21(27)19(16)25)22-30-9-12-33(22)23(31-14)32-10-5-24(6-11-32)13-17-15(20(24)26)3-2-7-28-17/h1-7,10,13-14,24H,8-9,11-12,15,29-30H2;1-6,9-10,13-14,22H,7-8,11-12,15,30-31H2;2-7,10-11,14,22H,8-9,12-13,15,30H2,1H3;2-5,8-10,13,20H,6-7,11-12,14,29H2,1H3;2-4,7-9,12,20H,5-6,10-11,13,26H2,1H3,(H2,27,29)/t24-;2*22-;2*20-/m11111/s1.

What are the key properties of (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

(5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 2472.15 g/mol, XLogP of 24.92, 13 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 165032448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).