(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

C94H101Cl6N21OS4 — CID 159683638

IUPAC(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)C[C@@H](C)C[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc4ccccc34)c3nccn13)CC2.N[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C25H23Cl2N5S.C24H26N6S.C23H27Cl2N5S.C22H25Cl2N5OS/c26-18-6-3-7-19(21(18)27)33-20-15-30-24(32-13-10-29-23(20)32)31-11-8-25(9-12-31)14-16-4-1-2-5-17(16)22(25)28;25-21-6-3-8-24(21)9-13-29(14-10-24)23-28-16-20(22-27-12-15-30(22)23)31-19-7-11-26-18-5-2-1-4-17(18)19;1-14-12-18(26)23(13-14)6-9-29(10-7-23)22-28-15(2)20(21-27-8-11-30(21)22)31-17-5-3-4-16(24)19(17)25;1-13-18(31-16-5-3-4-15(23)17(16)24)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25/h1-7,10,13,15,22H,8-9,11-12,14,28H2;1-2,4-5,7,11-12,15-16,21H,3,6,8-10,13-14,25H2;3-5,8,11,14,18H,6-7,9-10,12-13,26H2,1-2H3;3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3/t22-;21-;14-,18+;14-,19+/m1100/s1
InChIKeyMVMZKCFIQHWBLV-QHADKXARSA-N
MW1881.97 g/mol
LogP21.22
Rot. Bonds12

About (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (PubChem CID 159683638) has the molecular formula C94H101Cl6N21OS4 and a molecular weight of 1881.97 g/mol. Its IUPAC name is (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
PubChem CID159683638
Molecular FormulaC94H101Cl6N21OS4
Molecular Weight1881.97 g/mol
Exact Mass1877.55
IUPAC Name(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)C[C@@H](C)C[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc4ccccc34)c3nccn13)CC2.N[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C25H23Cl2N5S.C24H26N6S.C23H27Cl2N5S.C22H25Cl2N5OS/c26-18-6-3-7-19(21(18)27)33-20-15-30-24(32-13-10-29-23(20)32)31-11-8-25(9-12-31)14-16-4-1-2-5-17(16)22(25)28;25-21-6-3-8-24(21)9-13-29(14-10-24)23-28-16-20(22-27-12-15-30(22)23)31-19-7-11-26-18-5-2-1-4-17(18)19;1-14-12-18(26)23(13-14)6-9-29(10-7-23)22-28-15(2)20(21-27-8-11-30(21)22)31-17-5-3-4-16(24)19(17)25;1-13-18(31-16-5-3-4-15(23)17(16)24)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25/h1-7,10,13,15,22H,8-9,11-12,14,28H2;1-2,4-5,7,11-12,15-16,21H,3,6,8-10,13-14,25H2;3-5,8,11,14,18H,6-7,9-10,12-13,26H2,1-2H3;3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3/t22-;21-;14-,18+;14-,19+/m1100/s1
InChIKeyMVMZKCFIQHWBLV-QHADKXARSA-N
XLogP21.22
TPSA259.92 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001881.97
LogP ≤ 521.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (CID 159683638) is (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)C[C@@H](C)C[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc4ccccc34)c3nccn13)CC2.N[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The InChIKey is MVMZKCFIQHWBLV-QHADKXARSA-N. The full InChI is InChI=1S/C25H23Cl2N5S.C24H26N6S.C23H27Cl2N5S.C22H25Cl2N5OS/c26-18-6-3-7-19(21(18)27)33-20-15-30-24(32-13-10-29-23(20)32)31-11-8-25(9-12-31)14-16-4-1-2-5-17(16)22(25)28;25-21-6-3-8-24(21)9-13-29(14-10-24)23-28-16-20(22-27-12-15-30(22)23)31-19-7-11-26-18-5-2-1-4-17(18)19;1-14-12-18(26)23(13-14)6-9-29(10-7-23)22-28-15(2)20(21-27-8-11-30(21)22)31-17-5-3-4-16(24)19(17)25;1-13-18(31-16-5-3-4-15(23)17(16)24)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25/h1-7,10,13,15,22H,8-9,11-12,14,28H2;1-2,4-5,7,11-12,15-16,21H,3,6,8-10,13-14,25H2;3-5,8,11,14,18H,6-7,9-10,12-13,26H2,1-2H3;3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3/t22-;21-;14-,18+;14-,19+/m1100/s1.
What are the key properties of (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine has a molecular weight of 1881.97 g/mol, XLogP of 21.22, 12 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 159683638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).