(3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

C125H122Cl4F6N34O4S5 — CID 165079641

IUPAC(3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
SMILESCNc1nccc(Sc2c(C)nc(N3CCC4(CC3)Oc3ccccc3[C@H]4N)n3ccnc23)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(NC2CC2)c1Cl.Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C27H28ClN7OS.C25H23Cl2N5OS.C25H26ClN7OS.C24H23F3N8S.C24H22F3N7OS/c1-16-22(37-20-8-11-30-24(21(20)28)33-17-6-7-17)25-31-12-15-35(25)26(32-16)34-13-9-27(10-14-34)23(29)18-4-2-3-5-19(18)36-27;1-15-21(34-19-8-4-6-17(26)20(19)27)23-29-11-14-32(23)24(30-15)31-12-9-25(10-13-31)22(28)16-5-2-3-7-18(16)33-25;1-15-20(35-18-7-10-29-22(28-2)19(18)26)23-30-11-14-33(23)24(31-15)32-12-8-25(9-13-32)21(27)16-5-3-4-6-17(16)34-25;25-24(26,27)19-16(4-2-8-31-19)36-17-20(29)33-22(35-12-9-32-21(17)35)34-10-5-23(6-11-34)13-15-14(18(23)28)3-1-7-30-15;25-24(26,27)19-16(6-3-9-30-19)36-17-20(29)32-22(34-13-10-31-21(17)34)33-11-7-23(8-12-33)18(28)14-4-1-2-5-15(14)35-23/h2-5,8,11-12,15,17,23H,6-7,9-10,13-14,29H2,1H3,(H,30,33);2-8,11,14,22H,9-10,12-13,28H2,1H3;3-7,10-11,14,21H,8-9,12-13,27H2,1-2H3,(H,28,29);1-4,7-9,12,18H,5-6,10-11,13,28-29H2;1-6,9-10,13,18H,7-8,11-12,28-29H2/t23-;22-;21-;2*18-/m11111/s1
InChIKeyUXEVWECBDVYHAD-QQURRCAYSA-N
MW2580.72 g/mol
LogP24.30
Rot. Bonds18

About (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

(3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (PubChem CID 165079641) has the molecular formula C125H122Cl4F6N34O4S5 and a molecular weight of 2580.72 g/mol. Its IUPAC name is (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.

Molecular Properties

Compound Name(3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
PubChem CID165079641
Molecular FormulaC125H122Cl4F6N34O4S5
Molecular Weight2580.72 g/mol
Exact Mass2576.77
IUPAC Name(3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
SMILESCNc1nccc(Sc2c(C)nc(N3CCC4(CC3)Oc3ccccc3[C@H]4N)n3ccnc23)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(NC2CC2)c1Cl.Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C27H28ClN7OS.C25H23Cl2N5OS.C25H26ClN7OS.C24H23F3N8S.C24H22F3N7OS/c1-16-22(37-20-8-11-30-24(21(20)28)33-17-6-7-17)25-31-12-15-35(25)26(32-16)34-13-9-27(10-14-34)23(29)18-4-2-3-5-19(18)36-27;1-15-21(34-19-8-4-6-17(26)20(19)27)23-29-11-14-32(23)24(30-15)31-12-9-25(10-13-31)22(28)16-5-2-3-7-18(16)33-25;1-15-20(35-18-7-10-29-22(28-2)19(18)26)23-30-11-14-33(23)24(31-15)32-12-8-25(9-13-32)21(27)16-5-3-4-6-17(16)34-25;25-24(26,27)19-16(4-2-8-31-19)36-17-20(29)33-22(35-12-9-32-21(17)35)34-10-5-23(6-11-34)13-15-14(18(23)28)3-1-7-30-15;25-24(26,27)19-16(6-3-9-30-19)36-17-20(29)32-22(34-13-10-31-21(17)34)33-11-7-23(8-12-33)18(28)14-4-1-2-5-15(14)35-23/h2-5,8,11-12,15,17,23H,6-7,9-10,13-14,29H2,1H3,(H,30,33);2-8,11,14,22H,9-10,12-13,28H2,1H3;3-7,10-11,14,21H,8-9,12-13,27H2,1-2H3,(H,28,29);1-4,7-9,12,18H,5-6,10-11,13,28-29H2;1-6,9-10,13,18H,7-8,11-12,28-29H2/t23-;22-;21-;2*18-/m11111/s1
InChIKeyUXEVWECBDVYHAD-QQURRCAYSA-N
XLogP24.30
TPSA474.72 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds18
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002580.72
LogP ≤ 524.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Analyze (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The IUPAC name of (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (CID 165079641) is (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.
What is the SMILES notation for (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The canonical SMILES for (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is CNc1nccc(Sc2c(C)nc(N3CCC4(CC3)Oc3ccccc3[C@H]4N)n3ccnc23)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(NC2CC2)c1Cl.Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.
What is the InChIKey of (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The InChIKey is UXEVWECBDVYHAD-QQURRCAYSA-N. The full InChI is InChI=1S/C27H28ClN7OS.C25H23Cl2N5OS.C25H26ClN7OS.C24H23F3N8S.C24H22F3N7OS/c1-16-22(37-20-8-11-30-24(21(20)28)33-17-6-7-17)25-31-12-15-35(25)26(32-16)34-13-9-27(10-14-34)23(29)18-4-2-3-5-19(18)36-27;1-15-21(34-19-8-4-6-17(26)20(19)27)23-29-11-14-32(23)24(30-15)31-12-9-25(10-13-31)22(28)16-5-2-3-7-18(16)33-25;1-15-20(35-18-7-10-29-22(28-2)19(18)26)23-30-11-14-33(23)24(31-15)32-12-8-25(9-13-32)21(27)16-5-3-4-6-17(16)34-25;25-24(26,27)19-16(4-2-8-31-19)36-17-20(29)33-22(35-12-9-32-21(17)35)34-10-5-23(6-11-34)13-15-14(18(23)28)3-1-7-30-15;25-24(26,27)19-16(6-3-9-30-19)36-17-20(29)32-22(34-13-10-31-21(17)34)33-11-7-23(8-12-33)18(28)14-4-1-2-5-15(14)35-23/h2-5,8,11-12,15,17,23H,6-7,9-10,13-14,29H2,1H3,(H,30,33);2-8,11,14,22H,9-10,12-13,28H2,1H3;3-7,10-11,14,21H,8-9,12-13,27H2,1-2H3,(H,28,29);1-4,7-9,12,18H,5-6,10-11,13,28-29H2;1-6,9-10,13,18H,7-8,11-12,28-29H2/t23-;22-;21-;2*18-/m11111/s1.
What are the key properties of (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
(3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine has a molecular weight of 2580.72 g/mol, XLogP of 24.30, 18 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(5S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(3R)-1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is sourced from PubChem (CID 165079641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).