(1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C111H121Cl2F9N36O3S5 — CID 164956061

About (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 164956061) has the molecular formula C111H121Cl2F9N36O3S5 and a molecular weight of 2409.66 g/mol. Its IUPAC name is (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 164956061
• Molecular Formula: C111H121Cl2F9N36O3S5
• Molecular Weight: 2409.66 g/mol
• Exact Mass: 2406.83
• IUPAC Name: (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: CC1OCC2(CCN(c3nc(=O)c(Sc4ccnc(N)c4Cl)c4[nH]ccn34)CC2)[C@@H]1N.CC1OCC2(CCN(c3nc(N)c(Sc4cccnc4C(F)(F)F)c4nccn34)CC2)[C@@H]1N.Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1nccc(Sc2c(N)nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)n3ccnc23)c1Cl
• InChI: InChI=1S/C25H24F3N7S.C24H25ClN8S.C21H24F3N7OS.C21H24F3N7S.C20H24ClN7O2S/c26-25(27,28)20-17(6-3-9-31-20)36-18-21(30)33-23(35-13-10-32-22(18)35)34-11-7-24(8-12-34)14-15-4-1-2-5-16(15)19(24)29;25-17-16(5-8-29-20(17)27)34-18-21(28)31-23(33-12-9-30-22(18)33)32-10-6-24(7-11-32)13-14-3-1-2-4-15(14)19(24)26;1-12-15(25)20(11-32-12)4-8-30(9-5-20)19-29-17(26)14(18-28-7-10-31(18)19)33-13-3-2-6-27-16(13)21(22,23)24;22-21(23,24)16-13(3-2-8-27-16)32-15-17(26)29-19(31-12-9-28-18(15)31)30-10-6-20(7-11-30)5-1-4-14(20)25;1-11-15(22)20(10-30-11)3-7-27(8-4-20)19-26-18(29)14(17-25-6-9-28(17)19)31-12-2-5-24-16(23)13(12)21/h1-6,9-10,13,19H,7-8,11-12,14,29-30H2;1-5,8-9,12,19H,6-7,10-11,13,26,28H2,(H2,27,29);2-3,6-7,10,12,15H,4-5,8-9,11,25-26H2,1H3;2-3,8-9,12,14H,1,4-7,10-11,25-26H2;2,5-6,9,11,15,25H,3-4,7-8,10,22H2,1H3,(H2,23,24)/t2*19-;12?,15-;14-;11?,15-/m11111/s1
• InChIKey: KARJWBSYGZBOAW-NGGQBKTBSA-N
• XLogP: 17.98
• TPSA: 556.25 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 43
• Rotatable Bonds: 15
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.66
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 164956061) is (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is CC1OCC2(CCN(c3nc(=O)c(Sc4ccnc(N)c4Cl)c4[nH]ccn34)CC2)[C@@H]1N.CC1OCC2(CCN(c3nc(N)c(Sc4cccnc4C(F)(F)F)c4nccn34)CC2)[C@@H]1N.Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1nccc(Sc2c(N)nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)n3ccnc23)c1Cl.

What is the InChIKey of (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is KARJWBSYGZBOAW-NGGQBKTBSA-N. The full InChI is InChI=1S/C25H24F3N7S.C24H25ClN8S.C21H24F3N7OS.C21H24F3N7S.C20H24ClN7O2S/c26-25(27,28)20-17(6-3-9-31-20)36-18-21(30)33-23(35-13-10-32-22(18)35)34-11-7-24(8-12-34)14-15-4-1-2-5-16(15)19(24)29;25-17-16(5-8-29-20(17)27)34-18-21(28)31-23(33-12-9-30-22(18)33)32-10-6-24(7-11-32)13-14-3-1-2-4-15(14)19(24)26;1-12-15(25)20(11-32-12)4-8-30(9-5-20)19-29-17(26)14(18-28-7-10-31(18)19)33-13-3-2-6-27-16(13)21(22,23)24;22-21(23,24)16-13(3-2-8-27-16)32-15-17(26)29-19(31-12-9-28-18(15)31)30-10-6-20(7-11-30)5-1-4-14(20)25;1-11-15(22)20(10-30-11)3-7-27(8-4-20)19-26-18(29)14(17-25-6-9-28(17)19)31-12-2-5-24-16(23)13(12)21/h1-6,9-10,13,19H,7-8,11-12,14,29-30H2;1-5,8-9,12,19H,6-7,10-11,13,26,28H2,(H2,27,29);2-3,6-7,10,12,15H,4-5,8-9,11,25-26H2,1H3;2-3,8-9,12,14H,1,4-7,10-11,25-26H2;2,5-6,9,11,15,25H,3-4,7-8,10,22H2,1H3,(H2,23,24)/t2*19-;12?,15-;14-;11?,15-/m11111/s1.

What are the key properties of (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 2409.66 g/mol, XLogP of 17.98, 15 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-imidazo[1,2-c]pyrimidin-7-one;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 164956061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).