About [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol
[8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol (PubChem CID 165006943) has the molecular formula C113H139Cl7N30O10S3
and a molecular weight of 2421.93 g/mol. Its IUPAC name is [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol.
Frequently Asked Questions
What is the IUPAC name of [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol?
The IUPAC name of [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol (CID 165006943) is [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol.
What is the SMILES notation for [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol?
The canonical SMILES for [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol is Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CO)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CO)cnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CO)cnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CO)nc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CO)nc2c1Sc1cccc(Cl)c1Cl.
What is the InChIKey of [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol?
The InChIKey is JCHXHKWVYYESOX-PVOMAMOGSA-N. The full InChI is InChI=1S/C23H27Cl2N5O2S.C23H27Cl2N5O2.C23H29ClN6O2S.C22H28ClN7O2S.C22H28ClN7O2/c1-13-19(33-17-5-3-4-16(24)18(17)25)21-28-15(11-31)10-30(21)22(27-13)29-8-6-23(7-9-29)12-32-14(2)20(23)26;1-13-18(16-4-3-5-17(24)19(16)25)21-28-15(11-31)10-30(21)22(27-13)29-8-6-23(7-9-29)12-32-14(2)20(23)26;1-13-9-17(29-7-4-23(5-8-29)12-32-14(2)20(23)25)30-15(11-31)10-28-22(30)19(13)33-16-3-6-27-21(26)18(16)24;1-12-17(33-15-3-6-26-19(25)16(15)23)20-27-9-14(10-31)30(20)21(28-12)29-7-4-22(5-8-29)11-32-13(2)18(22)24;1-12-16(15-3-6-26-19(25)17(15)23)20-27-9-14(10-31)30(20)21(28-12)29-7-4-22(5-8-29)11-32-13(2)18(22)24/h3-5,10,14,20,31H,6-9,11-12,26H2,1-2H3;3-5,10,14,20,31H,6-9,11-12,26H2,1-2H3;3,6,9-10,14,20,31H,4-5,7-8,11-12,25H2,1-2H3,(H2,26,27);3,6,9,13,18,31H,4-5,7-8,10-11,24H2,1-2H3,(H2,25,26);3,6,9,13,18,31H,4-5,7-8,10-11,24H2,1-2H3,(H2,25,26)/t3*14-,20+;2*13-,18+/m00000/s1.
What are the key properties of [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol?
[8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol has a molecular weight of 2421.93 g/mol, XLogP of 16.21, 18 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol is sourced from PubChem (CID 165006943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).