4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one

C154H160Cl3N35O11 — CID 159562517

IUPAC4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one
SMILESCN1CC2(C1)CN(c1ccc3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.CN1CC2(C1)CN(c1ccc3nc(-c4cc(-c5cccnc5)c[nH]c4=O)[nH]c3c1)C2.COCCN1CC2(C1)CN(c1cc(C)c3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.COc1ncccc1-c1ccc(O)c(-c2nc3ccc(N4CC5(CN(C)C5)C4)cc3[nH]2)c1.Cc1cc(N2CC3(CN(C)C3)C2)cc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.Cc1cc(N2CC3(CN(C)C3)C2)cc2[nH]c(-c3cc(-c4cccnc4)c[nH]c3=O)nc12
InChIInChI=1S/C29H33ClN6O3.C27H29ClN6O2.C26H27ClN6O2.C25H25N5O2.C24H24N6O.C23H22N6O/c1-18-10-21(36-16-29(17-36)14-35(15-29)8-9-39-2)12-23-26(18)34-27(33-23)25-22(6-7-31-28(25)38)32-13-24(37)19-4-3-5-20(30)11-19;1-16-8-19(34-14-27(15-34)12-33(2)13-27)10-21-24(16)32-25(31-21)23-20(6-7-29-26(23)36)30-11-22(35)17-4-3-5-18(28)9-17;1-32-12-26(13-32)14-33(15-26)18-5-6-19-21(10-18)31-24(30-19)23-20(7-8-28-25(23)35)29-11-22(34)16-3-2-4-17(27)9-16;1-29-12-25(13-29)14-30(15-25)17-6-7-20-21(11-17)28-23(27-20)19-10-16(5-8-22(19)31)18-4-3-9-26-24(18)32-2;1-15-6-18(30-13-24(14-30)11-29(2)12-24)8-20-21(15)28-22(27-20)19-7-17(10-26-23(19)31)16-4-3-5-25-9-16;1-28-11-23(12-28)13-29(14-23)17-4-5-19-20(8-17)27-21(26-19)18-7-16(10-25-22(18)30)15-3-2-6-24-9-15/h3-7,10-12,24,37H,8-9,13-17H2,1-2H3,(H,33,34)(H2,31,32,38);3-10,22,35H,11-15H2,1-2H3,(H,31,32)(H2,29,30,36);2-10,22,34H,11-15H2,1H3,(H,30,31)(H2,28,29,35);3-11,31H,12-15H2,1-2H3,(H,27,28);3-10H,11-14H2,1-2H3,(H,26,31)(H,27,28);2-10H,11-14H2,1H3,(H,25,30)(H,26,27)/t24-;2*22-;;;/m000.../s1
InChIKeyMGULFZYNGNIQQE-DRIWILIHSA-N
MW2783.57 g/mol
LogP20.57
Rot. Bonds31

About 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one

4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one (PubChem CID 159562517) has the molecular formula C154H160Cl3N35O11 and a molecular weight of 2783.57 g/mol. Its IUPAC name is 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one
PubChem CID159562517
Molecular FormulaC154H160Cl3N35O11
Molecular Weight2783.57 g/mol
Exact Mass2780.21
IUPAC Name4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one
SMILESCN1CC2(C1)CN(c1ccc3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.CN1CC2(C1)CN(c1ccc3nc(-c4cc(-c5cccnc5)c[nH]c4=O)[nH]c3c1)C2.COCCN1CC2(C1)CN(c1cc(C)c3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.COc1ncccc1-c1ccc(O)c(-c2nc3ccc(N4CC5(CN(C)C5)C4)cc3[nH]2)c1.Cc1cc(N2CC3(CN(C)C3)C2)cc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.Cc1cc(N2CC3(CN(C)C3)C2)cc2[nH]c(-c3cc(-c4cccnc4)c[nH]c3=O)nc12
InChIInChI=1S/C29H33ClN6O3.C27H29ClN6O2.C26H27ClN6O2.C25H25N5O2.C24H24N6O.C23H22N6O/c1-18-10-21(36-16-29(17-36)14-35(15-29)8-9-39-2)12-23-26(18)34-27(33-23)25-22(6-7-31-28(25)38)32-13-24(37)19-4-3-5-20(30)11-19;1-16-8-19(34-14-27(15-34)12-33(2)13-27)10-21-24(16)32-25(31-21)23-20(6-7-29-26(23)36)30-11-22(35)17-4-3-5-18(28)9-17;1-32-12-26(13-32)14-33(15-26)18-5-6-19-21(10-18)31-24(30-19)23-20(7-8-28-25(23)35)29-11-22(34)16-3-2-4-17(27)9-16;1-29-12-25(13-29)14-30(15-25)17-6-7-20-21(11-17)28-23(27-20)19-10-16(5-8-22(19)31)18-4-3-9-26-24(18)32-2;1-15-6-18(30-13-24(14-30)11-29(2)12-24)8-20-21(15)28-22(27-20)19-7-17(10-26-23(19)31)16-4-3-5-25-9-16;1-28-11-23(12-28)13-29(14-23)17-4-5-19-20(8-17)27-21(26-19)18-7-16(10-25-22(18)30)15-3-2-6-24-9-15/h3-7,10-12,24,37H,8-9,13-17H2,1-2H3,(H,33,34)(H2,31,32,38);3-10,22,35H,11-15H2,1-2H3,(H,31,32)(H2,29,30,36);2-10,22,34H,11-15H2,1H3,(H,30,31)(H2,28,29,35);3-11,31H,12-15H2,1-2H3,(H,27,28);3-10H,11-14H2,1-2H3,(H,26,31)(H,27,28);2-10H,11-14H2,1H3,(H,25,30)(H,26,27)/t24-;2*22-;;;/m000.../s1
InChIKeyMGULFZYNGNIQQE-DRIWILIHSA-N
XLogP20.57
TPSA549.40 Ų
H-Bond Donors18
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002783.57
LogP ≤ 520.57
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1035

Analyze 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one?
The IUPAC name of 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one (CID 159562517) is 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one?
The canonical SMILES for 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one is CN1CC2(C1)CN(c1ccc3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.CN1CC2(C1)CN(c1ccc3nc(-c4cc(-c5cccnc5)c[nH]c4=O)[nH]c3c1)C2.COCCN1CC2(C1)CN(c1cc(C)c3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.COc1ncccc1-c1ccc(O)c(-c2nc3ccc(N4CC5(CN(C)C5)C4)cc3[nH]2)c1.Cc1cc(N2CC3(CN(C)C3)C2)cc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.Cc1cc(N2CC3(CN(C)C3)C2)cc2[nH]c(-c3cc(-c4cccnc4)c[nH]c3=O)nc12.
What is the InChIKey of 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one?
The InChIKey is MGULFZYNGNIQQE-DRIWILIHSA-N. The full InChI is InChI=1S/C29H33ClN6O3.C27H29ClN6O2.C26H27ClN6O2.C25H25N5O2.C24H24N6O.C23H22N6O/c1-18-10-21(36-16-29(17-36)14-35(15-29)8-9-39-2)12-23-26(18)34-27(33-23)25-22(6-7-31-28(25)38)32-13-24(37)19-4-3-5-20(30)11-19;1-16-8-19(34-14-27(15-34)12-33(2)13-27)10-21-24(16)32-25(31-21)23-20(6-7-29-26(23)36)30-11-22(35)17-4-3-5-18(28)9-17;1-32-12-26(13-32)14-33(15-26)18-5-6-19-21(10-18)31-24(30-19)23-20(7-8-28-25(23)35)29-11-22(34)16-3-2-4-17(27)9-16;1-29-12-25(13-29)14-30(15-25)17-6-7-20-21(11-17)28-23(27-20)19-10-16(5-8-22(19)31)18-4-3-9-26-24(18)32-2;1-15-6-18(30-13-24(14-30)11-29(2)12-24)8-20-21(15)28-22(27-20)19-7-17(10-26-23(19)31)16-4-3-5-25-9-16;1-28-11-23(12-28)13-29(14-23)17-4-5-19-20(8-17)27-21(26-19)18-7-16(10-25-22(18)30)15-3-2-6-24-9-15/h3-7,10-12,24,37H,8-9,13-17H2,1-2H3,(H,33,34)(H2,31,32,38);3-10,22,35H,11-15H2,1-2H3,(H,31,32)(H2,29,30,36);2-10,22,34H,11-15H2,1H3,(H,30,31)(H2,28,29,35);3-11,31H,12-15H2,1-2H3,(H,27,28);3-10H,11-14H2,1-2H3,(H,26,31)(H,27,28);2-10H,11-14H2,1H3,(H,25,30)(H,26,27)/t24-;2*22-;;;/m000.../s1.
What are the key properties of 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one?
4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one has a molecular weight of 2783.57 g/mol, XLogP of 20.57, 31 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-(2-methoxy-3-pyridinyl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]phenol;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one;3-[4-methyl-6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one is sourced from PubChem (CID 159562517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).