(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine

C70H71Cl3N22O2S3 — CID 165109655

IUPAC(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ncsc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C25H26ClN7.C24H24ClN7OS.C21H21ClN8OS2/c1-15-19(18-6-9-29-22(28)20(18)26)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-16-4-2-3-5-17(16)21(25)27;1-14-19(34-17-6-9-28-21(27)18(17)25)22-29-10-13-32(22)23(30-14)31-11-7-24(8-12-31)20(26)15-4-2-3-5-16(15)33-24;1-11-14(33-12-2-5-25-17(24)13(12)22)18-26-6-9-30(18)20(28-11)29-7-3-21(4-8-29)16(23)15-19(31-21)27-10-32-15/h2-6,9-10,13,21H,7-8,11-12,14,27H2,1H3,(H2,28,29);2-6,9-10,13,20H,7-8,11-12,26H2,1H3,(H2,27,28);2,5-6,9-10,16H,3-4,7-8,23H2,1H3,(H2,24,25)/t21-;20-;16-/m111/s1
InChIKeyZSUPPJUEQYOMCY-LEMSHHKPSA-N
MW1455.05 g/mol
LogP12.14
Rot. Bonds8

About (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine

(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine (PubChem CID 165109655) has the molecular formula C70H71Cl3N22O2S3 and a molecular weight of 1455.05 g/mol. Its IUPAC name is (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine.

Molecular Properties

Compound Name(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine
PubChem CID165109655
Molecular FormulaC70H71Cl3N22O2S3
Molecular Weight1455.05 g/mol
Exact Mass1452.44
IUPAC Name(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ncsc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C25H26ClN7.C24H24ClN7OS.C21H21ClN8OS2/c1-15-19(18-6-9-29-22(28)20(18)26)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-16-4-2-3-5-17(16)21(25)27;1-14-19(34-17-6-9-28-21(27)18(17)25)22-29-10-13-32(22)23(30-14)31-11-7-24(8-12-31)20(26)15-4-2-3-5-16(15)33-24;1-11-14(33-12-2-5-25-17(24)13(12)22)18-26-6-9-30(18)20(28-11)29-7-3-21(4-8-29)16(23)15-19(31-21)27-10-32-15/h2-6,9-10,13,21H,7-8,11-12,14,27H2,1H3,(H2,28,29);2-6,9-10,13,20H,7-8,11-12,26H2,1H3,(H2,27,28);2,5-6,9-10,16H,3-4,7-8,23H2,1H3,(H2,24,25)/t21-;20-;16-/m111/s1
InChIKeyZSUPPJUEQYOMCY-LEMSHHKPSA-N
XLogP12.14
TPSA326.43 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001455.05
LogP ≤ 512.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(3R)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 164982960
(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-(cyclopropylmethyl)-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-ethyl-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-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 165087487
1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine;1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 165103672
2-N'-[(1S)-1'-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-1'-[8-[[(4R,6S)-4-fluoro-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-10-yl]sulfanyl]-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1,2'-diamine
CID 167048154
(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 164967855
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-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;1'-[8-[[3-chloro-2-(cyclopropylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 164968010
(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 164977099
N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide;N-[(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
CID 165040143
(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine
CID 165064576
1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;1'-[8-[3-chloro-2-(methylamino)-4-pyridinyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;1'-[8-[3-chloro-2-(methylamino)-4-pyridinyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine;1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine
CID 165067250
(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 165069583
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-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;1'-[8-[[3-chloro-2-(cyclopropylmethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;1'-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 165091057

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine?
The IUPAC name of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine (CID 165109655) is (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine.
What is the SMILES notation for (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine?
The canonical SMILES for (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine is Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Oc2ncsc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.
What is the InChIKey of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine?
The InChIKey is ZSUPPJUEQYOMCY-LEMSHHKPSA-N. The full InChI is InChI=1S/C25H26ClN7.C24H24ClN7OS.C21H21ClN8OS2/c1-15-19(18-6-9-29-22(28)20(18)26)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-16-4-2-3-5-17(16)21(25)27;1-14-19(34-17-6-9-28-21(27)18(17)25)22-29-10-13-32(22)23(30-14)31-11-7-24(8-12-31)20(26)15-4-2-3-5-16(15)33-24;1-11-14(33-12-2-5-25-17(24)13(12)22)18-26-6-9-30(18)20(28-11)29-7-3-21(4-8-29)16(23)15-19(31-21)27-10-32-15/h2-6,9-10,13,21H,7-8,11-12,14,27H2,1H3,(H2,28,29);2-6,9-10,13,20H,7-8,11-12,26H2,1H3,(H2,27,28);2,5-6,9-10,16H,3-4,7-8,23H2,1H3,(H2,24,25)/t21-;20-;16-/m111/s1.
What are the key properties of (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine?
(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine has a molecular weight of 1455.05 g/mol, XLogP of 12.14, 8 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;(6S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[6H-furo[2,3-d][1,3]thiazole-5,4'-piperidine]-6-amine is sourced from PubChem (CID 165109655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).