(5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide

C124H115Cl10N35O6S6 — CID 165082322

IUPAC(5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide
SMILESN#Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2c(CO)cnc2c1Sc1cccc(Cl)c1Cl.N#Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.N[C@@H]1c2cccnc2CC12CCN(c1nc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3ncc(CO)n13)CC2.N[C@@H]1c2cccnc2CC12CCN(c1nc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C26H23Cl2N7OS.C25H25Cl2N7O3S2.C25H21Cl2N7S.C24H23Cl2N7O2S2.C24H23Cl2N7/c27-17-4-1-5-20(21(17)28)37-22-19(12-29)33-25(35-15(14-36)13-32-24(22)35)34-9-6-26(7-10-34)11-18-16(23(26)30)3-2-8-31-18;26-16-4-1-5-18(19(16)27)38-20-22-31-12-14(13-35)34(22)24(32-23(20)39(29,36)37)33-9-6-25(7-10-33)11-17-15(21(25)28)3-2-8-30-17;26-16-4-1-5-19(20(16)27)35-21-18(14-28)32-24(34-12-9-31-23(21)34)33-10-6-25(7-11-33)13-17-15(22(25)29)3-2-8-30-17;25-15-4-1-5-17(18(15)26)36-19-21-30-9-12-33(21)23(31-22(19)37(28,34)35)32-10-6-24(7-11-32)13-16-14(20(24)27)3-2-8-29-16;25-16-5-1-3-15(19(16)26)18-21(28)31-23(33-12-9-30-22(18)33)32-10-6-24(7-11-32)13-17-14(20(24)27)4-2-8-29-17/h1-5,8,13,23,36H,6-7,9-11,14,30H2;1-5,8,12,21,35H,6-7,9-11,13,28H2,(H2,29,36,37);1-5,8-9,12,22H,6-7,10-11,13,29H2;1-5,8-9,12,20H,6-7,10-11,13,27H2,(H2,28,34,35);1-5,8-9,12,20H,6-7,10-11,13,27-28H2/t23-;21-;22-;2*20-/m11111/s1
InChIKeyVIAXBDZBXILKOZ-SFLQIJBKSA-N
MW2738.45 g/mol
LogP22.25
Rot. Bonds18

About (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide

(5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide (PubChem CID 165082322) has the molecular formula C124H115Cl10N35O6S6 and a molecular weight of 2738.45 g/mol. Its IUPAC name is (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide.

Molecular Properties

Compound Name(5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide
PubChem CID165082322
Molecular FormulaC124H115Cl10N35O6S6
Molecular Weight2738.45 g/mol
Exact Mass2731.50
IUPAC Name(5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide
SMILESN#Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2c(CO)cnc2c1Sc1cccc(Cl)c1Cl.N#Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.N[C@@H]1c2cccnc2CC12CCN(c1nc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3ncc(CO)n13)CC2.N[C@@H]1c2cccnc2CC12CCN(c1nc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C26H23Cl2N7OS.C25H25Cl2N7O3S2.C25H21Cl2N7S.C24H23Cl2N7O2S2.C24H23Cl2N7/c27-17-4-1-5-20(21(17)28)37-22-19(12-29)33-25(35-15(14-36)13-32-24(22)35)34-9-6-26(7-10-34)11-18-16(23(26)30)3-2-8-31-18;26-16-4-1-5-18(19(16)27)38-20-22-31-12-14(13-35)34(22)24(32-23(20)39(29,36)37)33-9-6-25(7-10-33)11-17-15(21(25)28)3-2-8-30-17;26-16-4-1-5-19(20(16)27)35-21-18(14-28)32-24(34-12-9-31-23(21)34)33-10-6-25(7-11-33)13-17-15(22(25)29)3-2-8-30-17;25-15-4-1-5-17(18(15)26)36-19-21-30-9-12-33(21)23(31-22(19)37(28,34)35)32-10-6-24(7-11-32)13-16-14(20(24)27)3-2-8-29-16;25-16-5-1-3-15(19(16)26)18-21(28)31-23(33-12-9-30-22(18)33)32-10-6-24(7-11-32)13-17-14(20(24)27)4-2-8-29-17/h1-5,8,13,23,36H,6-7,9-11,14,30H2;1-5,8,12,21,35H,6-7,9-11,13,28H2,(H2,29,36,37);1-5,8-9,12,22H,6-7,10-11,13,29H2;1-5,8-9,12,20H,6-7,10-11,13,27H2,(H2,28,34,35);1-5,8-9,12,20H,6-7,10-11,13,27-28H2/t23-;21-;22-;2*20-/m11111/s1
InChIKeyVIAXBDZBXILKOZ-SFLQIJBKSA-N
XLogP22.25
TPSA596.08 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds18
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002738.45
LogP ≤ 522.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide with MolForge

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Related Compounds

5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide
CID 164743766
1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 164743863
5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide
CID 149154548
[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-7-yl]methanol
CID 147261923
(1S)-1'-[8-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-methyl-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 165063040
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine-7-carbonitrile;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine-7-sulfonamide;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carbonitrile;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-sulfonamide
CID 165016582
5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine-7-carbonitrile
CID 152788117
5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 164743572
(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-deuteriospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169008435
1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-deuterioimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169008421
(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 146466905

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide?
The IUPAC name of (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide (CID 165082322) is (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide.
What is the SMILES notation for (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide?
The canonical SMILES for (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide is N#Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2c(CO)cnc2c1Sc1cccc(Cl)c1Cl.N#Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.N[C@@H]1c2cccnc2CC12CCN(c1nc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3ncc(CO)n13)CC2.N[C@@H]1c2cccnc2CC12CCN(c1nc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.
What is the InChIKey of (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide?
The InChIKey is VIAXBDZBXILKOZ-SFLQIJBKSA-N. The full InChI is InChI=1S/C26H23Cl2N7OS.C25H25Cl2N7O3S2.C25H21Cl2N7S.C24H23Cl2N7O2S2.C24H23Cl2N7/c27-17-4-1-5-20(21(17)28)37-22-19(12-29)33-25(35-15(14-36)13-32-24(22)35)34-9-6-26(7-10-34)11-18-16(23(26)30)3-2-8-31-18;26-16-4-1-5-18(19(16)27)38-20-22-31-12-14(13-35)34(22)24(32-23(20)39(29,36)37)33-9-6-25(7-10-33)11-17-15(21(25)28)3-2-8-30-17;26-16-4-1-5-19(20(16)27)35-21-18(14-28)32-24(34-12-9-31-23(21)34)33-10-6-25(7-11-33)13-17-15(22(25)29)3-2-8-30-17;25-15-4-1-5-17(18(15)26)36-19-21-30-9-12-33(21)23(31-22(19)37(28,34)35)32-10-6-24(7-11-32)13-16-14(20(24)27)3-2-8-29-16;25-16-5-1-3-15(19(16)26)18-21(28)31-23(33-12-9-30-22(18)33)32-10-6-24(7-11-32)13-17-14(20(24)27)4-2-8-29-17/h1-5,8,13,23,36H,6-7,9-11,14,30H2;1-5,8,12,21,35H,6-7,9-11,13,28H2,(H2,29,36,37);1-5,8-9,12,22H,6-7,10-11,13,29H2;1-5,8-9,12,20H,6-7,10-11,13,27H2,(H2,28,34,35);1-5,8-9,12,20H,6-7,10-11,13,27-28H2/t23-;21-;22-;2*20-/m11111/s1.
What are the key properties of (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide?
(5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide has a molecular weight of 2738.45 g/mol, XLogP of 22.25, 18 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-sulfonamide;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide is sourced from PubChem (CID 165082322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).