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

C114H134Cl8F4N28O6S3 — CID 164955942

IUPAC(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol
SMILESC[C@@H]1OCC2(CCN(c3cc(N)c(-c4cccc(Cl)c4Cl)c4nc(CF)cn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(N)c(-c4ccnc(N)c4Cl)c4ncc(CF)n34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(N)c(Sc4cccc(Cl)c4Cl)c4nc(CF)cn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(N)c(Sc4ccnc(N)c4Cl)c4ncc(CF)n34)CC2)[C@@H]1N.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CO)nc2c1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C24H28Cl2N4O2S.C23H26Cl2FN5OS.C23H26Cl2FN5O.C22H27ClFN7OS.C22H27ClFN7O/c1-14-10-19(29-8-6-24(7-9-29)13-32-15(2)22(24)27)30-11-16(12-31)28-23(30)21(14)33-18-5-3-4-17(25)20(18)26;1-13-21(28)23(12-32-13)5-7-30(8-6-23)18-9-16(27)20(22-29-14(10-26)11-31(18)22)33-17-4-2-3-15(24)19(17)25;1-13-21(28)23(12-32-13)5-7-30(8-6-23)18-9-17(27)19(15-3-2-4-16(24)20(15)25)22-29-14(10-26)11-31(18)22;1-12-19(26)22(11-32-12)3-6-30(7-4-22)16-8-14(25)18(21-29-10-13(9-24)31(16)21)33-15-2-5-28-20(27)17(15)23;1-12-19(26)22(11-32-12)3-6-30(7-4-22)16-8-15(25)17(14-2-5-28-20(27)18(14)23)21-29-10-13(9-24)31(16)21/h3-5,10-11,15,22,31H,6-9,12-13,27H2,1-2H3;2-4,9,11,13,21H,5-8,10,12,27-28H2,1H3;2-4,9,11,13,21H,5-8,10,12,27-28H2,1H3;2,5,8,10,12,19H,3-4,6-7,9,11,25-26H2,1H3,(H2,27,28);2,5,8,10,12,19H,3-4,6-7,9,11,25-26H2,1H3,(H2,27,28)/t15-,22+;2*13-,21+;2*12-,19+/m00000/s1
InChIKeyBECKUKKPNPWEPO-IFCUQEQGSA-N
MW2448.33 g/mol
LogP21.31
Rot. Bonds18

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

(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol (PubChem CID 164955942) has the molecular formula C114H134Cl8F4N28O6S3 and a molecular weight of 2448.33 g/mol. Its IUPAC name is (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol.

Molecular Properties

Compound Name(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol
PubChem CID164955942
Molecular FormulaC114H134Cl8F4N28O6S3
Molecular Weight2448.33 g/mol
Exact Mass2442.76
IUPAC Name(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol
SMILESC[C@@H]1OCC2(CCN(c3cc(N)c(-c4cccc(Cl)c4Cl)c4nc(CF)cn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(N)c(-c4ccnc(N)c4Cl)c4ncc(CF)n34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(N)c(Sc4cccc(Cl)c4Cl)c4nc(CF)cn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(N)c(Sc4ccnc(N)c4Cl)c4ncc(CF)n34)CC2)[C@@H]1N.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CO)nc2c1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C24H28Cl2N4O2S.C23H26Cl2FN5OS.C23H26Cl2FN5O.C22H27ClFN7OS.C22H27ClFN7O/c1-14-10-19(29-8-6-24(7-9-29)13-32-15(2)22(24)27)30-11-16(12-31)28-23(30)21(14)33-18-5-3-4-17(25)20(18)26;1-13-21(28)23(12-32-13)5-7-30(8-6-23)18-9-16(27)20(22-29-14(10-26)11-31(18)22)33-17-4-2-3-15(24)19(17)25;1-13-21(28)23(12-32-13)5-7-30(8-6-23)18-9-17(27)19(15-3-2-4-16(24)20(15)25)22-29-14(10-26)11-31(18)22;1-12-19(26)22(11-32-12)3-6-30(7-4-22)16-8-14(25)18(21-29-10-13(9-24)31(16)21)33-15-2-5-28-20(27)17(15)23;1-12-19(26)22(11-32-12)3-6-30(7-4-22)16-8-15(25)17(14-2-5-28-20(27)18(14)23)21-29-10-13(9-24)31(16)21/h3-5,10-11,15,22,31H,6-9,12-13,27H2,1-2H3;2-4,9,11,13,21H,5-8,10,12,27-28H2,1H3;2-4,9,11,13,21H,5-8,10,12,27-28H2,1H3;2,5,8,10,12,19H,3-4,6-7,9,11,25-26H2,1H3,(H2,27,28);2,5,8,10,12,19H,3-4,6-7,9,11,25-26H2,1H3,(H2,27,28)/t15-,22+;2*13-,21+;2*12-,19+/m00000/s1
InChIKeyBECKUKKPNPWEPO-IFCUQEQGSA-N
XLogP21.31
TPSA481.08 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002448.33
LogP ≤ 521.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol?
The IUPAC name of (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol (CID 164955942) is (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol.
What is the SMILES notation for (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol?
The canonical SMILES for (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol is C[C@@H]1OCC2(CCN(c3cc(N)c(-c4cccc(Cl)c4Cl)c4nc(CF)cn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(N)c(-c4ccnc(N)c4Cl)c4ncc(CF)n34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(N)c(Sc4cccc(Cl)c4Cl)c4nc(CF)cn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(N)c(Sc4ccnc(N)c4Cl)c4ncc(CF)n34)CC2)[C@@H]1N.Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2cc(CO)nc2c1Sc1cccc(Cl)c1Cl.
What is the InChIKey of (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol?
The InChIKey is BECKUKKPNPWEPO-IFCUQEQGSA-N. The full InChI is InChI=1S/C24H28Cl2N4O2S.C23H26Cl2FN5OS.C23H26Cl2FN5O.C22H27ClFN7OS.C22H27ClFN7O/c1-14-10-19(29-8-6-24(7-9-29)13-32-15(2)22(24)27)30-11-16(12-31)28-23(30)21(14)33-18-5-3-4-17(25)20(18)26;1-13-21(28)23(12-32-13)5-7-30(8-6-23)18-9-16(27)20(22-29-14(10-26)11-31(18)22)33-17-4-2-3-15(24)19(17)25;1-13-21(28)23(12-32-13)5-7-30(8-6-23)18-9-17(27)19(15-3-2-4-16(24)20(15)25)22-29-14(10-26)11-31(18)22;1-12-19(26)22(11-32-12)3-6-30(7-4-22)16-8-14(25)18(21-29-10-13(9-24)31(16)21)33-15-2-5-28-20(27)17(15)23;1-12-19(26)22(11-32-12)3-6-30(7-4-22)16-8-15(25)17(14-2-5-28-20(27)18(14)23)21-29-10-13(9-24)31(16)21/h3-5,10-11,15,22,31H,6-9,12-13,27H2,1-2H3;2-4,9,11,13,21H,5-8,10,12,27-28H2,1H3;2-4,9,11,13,21H,5-8,10,12,27-28H2,1H3;2,5,8,10,12,19H,3-4,6-7,9,11,25-26H2,1H3,(H2,27,28);2,5,8,10,12,19H,3-4,6-7,9,11,25-26H2,1H3,(H2,27,28)/t15-,22+;2*13-,21+;2*12-,19+/m00000/s1.
What are the key properties of (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol?
(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol has a molecular weight of 2448.33 g/mol, XLogP of 21.31, 18 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[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-a]pyridin-2-yl]methanol is sourced from PubChem (CID 164955942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).