(2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C164H203Cl6F5N32O22S — CID 157266573

IUPAC(2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCCN1CCC(Cc2nc(-c3cc(OC[C@H](O)CNC)ccc3Cl)nc(-c3c(C)noc3C)c2C)C(F)(F)C1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCCCO4)C3)n2)c1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CCC4(CCCO4)C3)n2)c1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cn(S(C)(=O)=O)nc4C3)n2)c1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(CC3CCN(C4CC4)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.CNC[C@@H](O)COc1ccc(F)c(-c2nc(-c3c(C)noc3C)c(Cl)c(N3CC4(CCCCC4)C3)n2)c1
InChIInChI=1S/C29H36ClF2N5O3.C28H36ClF2N5O3.C27H33ClFN5O3.2C27H34ClN5O4.C26H30ClN7O5S/c1-16-25(11-19-9-10-37(20-5-6-20)15-29(19,31)32)34-28(35-27(16)26-17(2)36-40-18(26)3)23-12-22(7-8-24(23)30)39-14-21(38)13-33-4;1-6-36-10-9-19(28(30,31)15-36)11-24-16(2)26(25-17(3)35-39-18(25)4)34-27(33-24)22-12-21(7-8-23(22)29)38-14-20(37)13-32-5;1-16-22(17(2)37-33-16)24-23(28)26(34-14-27(15-34)9-5-4-6-10-27)32-25(31-24)20-11-19(7-8-21(20)29)36-13-18(35)12-30-3;1-16-24(23-17(2)32-37-18(23)3)30-25(31-26(16)33-10-9-27(15-33)8-5-11-36-27)21-12-20(6-7-22(21)28)35-14-19(34)13-29-4;1-16-24(23-17(2)32-37-18(23)3)30-25(31-26(16)33-14-27(15-33)9-5-6-10-36-27)21-11-20(7-8-22(21)28)35-13-19(34)12-29-4;1-14-24(23-15(2)32-39-16(23)3)29-25(20-8-19(6-7-21(20)27)38-13-18(35)9-28-4)30-26(14)33-10-17-11-34(40(5,36)37)31-22(17)12-33/h7-8,12,19-21,33,38H,5-6,9-11,13-15H2,1-4H3;7-8,12,19-20,32,37H,6,9-11,13-15H2,1-5H3;7-8,11,18,30,35H,4-6,9-10,12-15H2,1-3H3;6-7,12,19,29,34H,5,8-11,13-15H2,1-4H3;7-8,11,19,29,34H,5-6,9-10,12-15H2,1-4H3;6-8,11,18,28,35H,9-10,12-13H2,1-5H3/t19?,21-;19?,20-;18-;19-,27?;19-;18-/m111111/s1
InChIKeyAYBIJAKADACNLX-POIMPUIMSA-N
MW3314.40 g/mol
LogP25.84
Rot. Bonds53

About (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

(2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 157266573) has the molecular formula C164H203Cl6F5N32O22S and a molecular weight of 3314.40 g/mol. Its IUPAC name is (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID157266573
Molecular FormulaC164H203Cl6F5N32O22S
Molecular Weight3314.40 g/mol
Exact Mass3309.35
IUPAC Name(2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCCN1CCC(Cc2nc(-c3cc(OC[C@H](O)CNC)ccc3Cl)nc(-c3c(C)noc3C)c2C)C(F)(F)C1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCCCO4)C3)n2)c1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CCC4(CCCO4)C3)n2)c1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cn(S(C)(=O)=O)nc4C3)n2)c1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(CC3CCN(C4CC4)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.CNC[C@@H](O)COc1ccc(F)c(-c2nc(-c3c(C)noc3C)c(Cl)c(N3CC4(CCCCC4)C3)n2)c1
InChIInChI=1S/C29H36ClF2N5O3.C28H36ClF2N5O3.C27H33ClFN5O3.2C27H34ClN5O4.C26H30ClN7O5S/c1-16-25(11-19-9-10-37(20-5-6-20)15-29(19,31)32)34-28(35-27(16)26-17(2)36-40-18(26)3)23-12-22(7-8-24(23)30)39-14-21(38)13-33-4;1-6-36-10-9-19(28(30,31)15-36)11-24-16(2)26(25-17(3)35-39-18(25)4)34-27(33-24)22-12-21(7-8-23(22)29)38-14-20(37)13-32-5;1-16-22(17(2)37-33-16)24-23(28)26(34-14-27(15-34)9-5-4-6-10-27)32-25(31-24)20-11-19(7-8-21(20)29)36-13-18(35)12-30-3;1-16-24(23-17(2)32-37-18(23)3)30-25(31-26(16)33-10-9-27(15-33)8-5-11-36-27)21-12-20(6-7-22(21)28)35-14-19(34)13-29-4;1-16-24(23-17(2)32-37-18(23)3)30-25(31-26(16)33-14-27(15-33)9-5-6-10-36-27)21-11-20(7-8-22(21)28)35-13-19(34)12-29-4;1-14-24(23-15(2)32-39-16(23)3)29-25(20-8-19(6-7-21(20)27)38-13-18(35)9-28-4)30-26(14)33-10-17-11-34(40(5,36)37)31-22(17)12-33/h7-8,12,19-21,33,38H,5-6,9-11,13-15H2,1-4H3;7-8,12,19-20,32,37H,6,9-11,13-15H2,1-5H3;7-8,11,18,30,35H,4-6,9-10,12-15H2,1-3H3;6-7,12,19,29,34H,5,8-11,13-15H2,1-4H3;7-8,11,19,29,34H,5-6,9-10,12-15H2,1-4H3;6-8,11,18,28,35H,9-10,12-13H2,1-5H3/t19?,21-;19?,20-;18-;19-,27?;19-;18-/m111111/s1
InChIKeyAYBIJAKADACNLX-POIMPUIMSA-N
XLogP25.84
TPSA649.66 Ų
H-Bond Donors12
H-Bond Acceptors54
Rotatable Bonds53
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003314.40
LogP ≤ 525.84
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1054

Analyze (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 157266573) is (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CCN1CCC(Cc2nc(-c3cc(OC[C@H](O)CNC)ccc3Cl)nc(-c3c(C)noc3C)c2C)C(F)(F)C1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCCCO4)C3)n2)c1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CCC4(CCCO4)C3)n2)c1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cn(S(C)(=O)=O)nc4C3)n2)c1.CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(CC3CCN(C4CC4)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.CNC[C@@H](O)COc1ccc(F)c(-c2nc(-c3c(C)noc3C)c(Cl)c(N3CC4(CCCCC4)C3)n2)c1.
What is the InChIKey of (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is AYBIJAKADACNLX-POIMPUIMSA-N. The full InChI is InChI=1S/C29H36ClF2N5O3.C28H36ClF2N5O3.C27H33ClFN5O3.2C27H34ClN5O4.C26H30ClN7O5S/c1-16-25(11-19-9-10-37(20-5-6-20)15-29(19,31)32)34-28(35-27(16)26-17(2)36-40-18(26)3)23-12-22(7-8-24(23)30)39-14-21(38)13-33-4;1-6-36-10-9-19(28(30,31)15-36)11-24-16(2)26(25-17(3)35-39-18(25)4)34-27(33-24)22-12-21(7-8-23(22)29)38-14-20(37)13-32-5;1-16-22(17(2)37-33-16)24-23(28)26(34-14-27(15-34)9-5-4-6-10-27)32-25(31-24)20-11-19(7-8-21(20)29)36-13-18(35)12-30-3;1-16-24(23-17(2)32-37-18(23)3)30-25(31-26(16)33-10-9-27(15-33)8-5-11-36-27)21-12-20(6-7-22(21)28)35-14-19(34)13-29-4;1-16-24(23-17(2)32-37-18(23)3)30-25(31-26(16)33-14-27(15-33)9-5-6-10-36-27)21-11-20(7-8-22(21)28)35-13-19(34)12-29-4;1-14-24(23-15(2)32-39-16(23)3)29-25(20-8-19(6-7-21(20)27)38-13-18(35)9-28-4)30-26(14)33-10-17-11-34(40(5,36)37)31-22(17)12-33/h7-8,12,19-21,33,38H,5-6,9-11,13-15H2,1-4H3;7-8,12,19-20,32,37H,6,9-11,13-15H2,1-5H3;7-8,11,18,30,35H,4-6,9-10,12-15H2,1-3H3;6-7,12,19,29,34H,5,8-11,13-15H2,1-4H3;7-8,11,19,29,34H,5-6,9-10,12-15H2,1-4H3;6-8,11,18,28,35H,9-10,12-13H2,1-5H3/t19?,21-;19?,20-;18-;19-,27?;19-;18-/m111111/s1.
What are the key properties of (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
(2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 3314.40 g/mol, XLogP of 25.84, 53 rotatable bonds, 12 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[4-(2-azaspiro[3.5]nonan-2-yl)-5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-4-fluorophenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-[(1-cyclopropyl-3,3-difluoropiperidin-4-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-ethyl-3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 157266573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).