[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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C125H163Cl7N30O6S2 — CID 165075993

IUPAC[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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CN(C)C)cnc2c1-c1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CN(C)C)cnc2c1Sc1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CO)cnc2c1-c1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CN(C)C)nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CN(C)C)nc2c1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C26H33Cl2N5OS.C26H33Cl2N5O.C25H34ClN7OS.C25H34ClN7O.C23H29ClN6O2/c1-16-12-21(32-10-8-26(9-11-32)15-34-17(2)24(26)29)33-14-18(13-31(3)4)30-25(33)23(16)35-20-7-5-6-19(27)22(20)28;1-16-12-21(32-10-8-26(9-11-32)15-34-17(2)24(26)29)33-14-18(13-31(3)4)30-25(33)22(16)19-6-5-7-20(27)23(19)28;1-15-11-19(32-9-6-25(7-10-32)14-34-16(2)22(25)27)33-17(13-31(3)4)12-30-24(33)21(15)35-18-5-8-29-23(28)20(18)26;1-15-11-19(32-9-6-25(7-10-32)14-34-16(2)22(25)27)33-17(13-31(3)4)12-30-24(33)20(15)18-5-8-29-23(28)21(18)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)18(13)16-3-6-27-21(26)19(16)24/h5-7,12,14,17,24H,8-11,13,15,29H2,1-4H3;5-7,12,14,17,24H,8-11,13,15,29H2,1-4H3;5,8,11-12,16,22H,6-7,9-10,13-14,27H2,1-4H3,(H2,28,29);5,8,11-12,16,22H,6-7,9-10,13-14,27H2,1-4H3,(H2,28,29);3,6,9-10,14,20,31H,4-5,7-8,11-12,25H2,1-2H3,(H2,26,27)/t2*17-,24+;2*16-,22+;14-,20+/m00000/s1
InChIKeyUHSSFMJALVSMHX-BEXOHCGISA-N
MW2494.19 g/mol
LogP20.42
Rot. Bonds21

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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

[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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 165075993) has the molecular formula C125H163Cl7N30O6S2 and a molecular weight of 2494.19 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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name[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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID165075993
Molecular FormulaC125H163Cl7N30O6S2
Molecular Weight2494.19 g/mol
Exact Mass2489.06
IUPAC Name[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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CN(C)C)cnc2c1-c1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CN(C)C)cnc2c1Sc1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CO)cnc2c1-c1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CN(C)C)nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CN(C)C)nc2c1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C26H33Cl2N5OS.C26H33Cl2N5O.C25H34ClN7OS.C25H34ClN7O.C23H29ClN6O2/c1-16-12-21(32-10-8-26(9-11-32)15-34-17(2)24(26)29)33-14-18(13-31(3)4)30-25(33)23(16)35-20-7-5-6-19(27)22(20)28;1-16-12-21(32-10-8-26(9-11-32)15-34-17(2)24(26)29)33-14-18(13-31(3)4)30-25(33)22(16)19-6-5-7-20(27)23(19)28;1-15-11-19(32-9-6-25(7-10-32)14-34-16(2)22(25)27)33-17(13-31(3)4)12-30-24(33)21(15)35-18-5-8-29-23(28)20(18)26;1-15-11-19(32-9-6-25(7-10-32)14-34-16(2)22(25)27)33-17(13-31(3)4)12-30-24(33)20(15)18-5-8-29-23(28)21(18)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)18(13)16-3-6-27-21(26)19(16)24/h5-7,12,14,17,24H,8-11,13,15,29H2,1-4H3;5-7,12,14,17,24H,8-11,13,15,29H2,1-4H3;5,8,11-12,16,22H,6-7,9-10,13-14,27H2,1-4H3,(H2,28,29);5,8,11-12,16,22H,6-7,9-10,13-14,27H2,1-4H3,(H2,28,29);3,6,9-10,14,20,31H,4-5,7-8,11-12,25H2,1-2H3,(H2,26,27)/t2*17-,24+;2*16-,22+;14-,20+/m00000/s1
InChIKeyUHSSFMJALVSMHX-BEXOHCGISA-N
XLogP20.42
TPSA428.87 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds21
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002494.19
LogP ≤ 520.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze [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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 165075993) 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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CN(C)C)cnc2c1-c1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CN(C)C)cnc2c1Sc1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CO)cnc2c1-c1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CN(C)C)nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CN(C)C)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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is UHSSFMJALVSMHX-BEXOHCGISA-N. The full InChI is InChI=1S/C26H33Cl2N5OS.C26H33Cl2N5O.C25H34ClN7OS.C25H34ClN7O.C23H29ClN6O2/c1-16-12-21(32-10-8-26(9-11-32)15-34-17(2)24(26)29)33-14-18(13-31(3)4)30-25(33)23(16)35-20-7-5-6-19(27)22(20)28;1-16-12-21(32-10-8-26(9-11-32)15-34-17(2)24(26)29)33-14-18(13-31(3)4)30-25(33)22(16)19-6-5-7-20(27)23(19)28;1-15-11-19(32-9-6-25(7-10-32)14-34-16(2)22(25)27)33-17(13-31(3)4)12-30-24(33)21(15)35-18-5-8-29-23(28)20(18)26;1-15-11-19(32-9-6-25(7-10-32)14-34-16(2)22(25)27)33-17(13-31(3)4)12-30-24(33)20(15)18-5-8-29-23(28)21(18)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)18(13)16-3-6-27-21(26)19(16)24/h5-7,12,14,17,24H,8-11,13,15,29H2,1-4H3;5-7,12,14,17,24H,8-11,13,15,29H2,1-4H3;5,8,11-12,16,22H,6-7,9-10,13-14,27H2,1-4H3,(H2,28,29);5,8,11-12,16,22H,6-7,9-10,13-14,27H2,1-4H3,(H2,28,29);3,6,9-10,14,20,31H,4-5,7-8,11-12,25H2,1-2H3,(H2,26,27)/t2*17-,24+;2*16-,22+;14-,20+/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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
[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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2494.19 g/mol, XLogP of 20.42, 21 rotatable bonds, 9 hydrogen bond donors, and 38 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-a]pyridin-3-yl]methanol;(3S,4S)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 165075993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).