1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone

C175H195N39O15S3 — CID 158195156

IUPAC1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone
SMILESCO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)C2CCN(c3ccc(-c4ncn(C)n4)cn3)CC2)C1.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccncc4)c3c2)CCN(CC(=O)C2CCN(c3ccc(-c4ncccn4)cn3)CC2)C1.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccncc4)c3c2)CCN(CC(O)C2CCN(c3ccc(-c4ncccn4)cn3)CC2)C1.CS[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)C2CCN(c3ccc(-c4ncccn4)cn3)CC2)C1.CS[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(O)C2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C38H42N8O3S.C37H43N9O4.C35H38N8O3.C35H36N8O3.C30H36N6O2S2/c1-25(2)49-35-10-7-28(21-42-35)36-30-19-26(5-8-31(30)43-44-36)20-33(48)38(50-3)13-18-45(24-38)23-32(47)27-11-16-46(17-12-27)34-9-6-29(22-41-34)37-39-14-4-15-40-37;1-24(2)50-34-10-7-27(19-39-34)35-29-17-25(5-8-30(29)41-42-35)18-32(48)37(49-4)13-16-45(22-37)21-31(47)26-11-14-46(15-12-26)33-9-6-28(20-38-33)36-40-23-44(3)43-36;2*1-46-35(31(45)20-24-3-5-29-28(19-24)33(41-40-29)26-7-14-36-15-8-26)11-18-42(23-35)22-30(44)25-9-16-43(17-10-25)32-6-4-27(21-39-32)34-37-12-2-13-38-34;1-20-15-23(5-9-31-20)28-24-16-21(3-4-25(24)33-34-28)17-27(38)30(39-2)8-13-35(19-30)18-26(37)22-6-11-36(12-7-22)29-32-10-14-40-29/h4-10,14-15,19,21-22,25,27H,11-13,16-18,20,23-24H2,1-3H3,(H,43,44);5-10,17,19-20,23-24,26H,11-16,18,21-22H2,1-4H3,(H,41,42);2-8,12-15,19,21,25,30,44H,9-11,16-18,20,22-23H2,1H3,(H,40,41);2-8,12-15,19,21,25H,9-11,16-18,20,22-23H2,1H3,(H,40,41);3-5,9-10,14-16,22,26,37H,6-8,11-13,17-19H2,1-2H3,(H,33,34)/t38-;37-;30?,35-;35-;26?,30-/m00000/s1
InChIKeyGAGCRKNYUWBVLD-FMGXBUAVSA-N
MW3180.94 g/mol
LogP22.67
Rot. Bonds53

About 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone

1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone (PubChem CID 158195156) has the molecular formula C175H195N39O15S3 and a molecular weight of 3180.94 g/mol. Its IUPAC name is 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone
PubChem CID158195156
Molecular FormulaC175H195N39O15S3
Molecular Weight3180.94 g/mol
Exact Mass3178.49
IUPAC Name1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone
SMILESCO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)C2CCN(c3ccc(-c4ncn(C)n4)cn3)CC2)C1.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccncc4)c3c2)CCN(CC(=O)C2CCN(c3ccc(-c4ncccn4)cn3)CC2)C1.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccncc4)c3c2)CCN(CC(O)C2CCN(c3ccc(-c4ncccn4)cn3)CC2)C1.CS[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)C2CCN(c3ccc(-c4ncccn4)cn3)CC2)C1.CS[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(O)C2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C38H42N8O3S.C37H43N9O4.C35H38N8O3.C35H36N8O3.C30H36N6O2S2/c1-25(2)49-35-10-7-28(21-42-35)36-30-19-26(5-8-31(30)43-44-36)20-33(48)38(50-3)13-18-45(24-38)23-32(47)27-11-16-46(17-12-27)34-9-6-29(22-41-34)37-39-14-4-15-40-37;1-24(2)50-34-10-7-27(19-39-34)35-29-17-25(5-8-30(29)41-42-35)18-32(48)37(49-4)13-16-45(22-37)21-31(47)26-11-14-46(15-12-26)33-9-6-28(20-38-33)36-40-23-44(3)43-36;2*1-46-35(31(45)20-24-3-5-29-28(19-24)33(41-40-29)26-7-14-36-15-8-26)11-18-42(23-35)22-30(44)25-9-16-43(17-10-25)32-6-4-27(21-39-32)34-37-12-2-13-38-34;1-20-15-23(5-9-31-20)28-24-16-21(3-4-25(24)33-34-28)17-27(38)30(39-2)8-13-35(19-30)18-26(37)22-6-11-36(12-7-22)29-32-10-14-40-29/h4-10,14-15,19,21-22,25,27H,11-13,16-18,20,23-24H2,1-3H3,(H,43,44);5-10,17,19-20,23-24,26H,11-16,18,21-22H2,1-4H3,(H,41,42);2-8,12-15,19,21,25,30,44H,9-11,16-18,20,22-23H2,1H3,(H,40,41);2-8,12-15,19,21,25H,9-11,16-18,20,22-23H2,1H3,(H,40,41);3-5,9-10,14-16,22,26,37H,6-8,11-13,17-19H2,1-2H3,(H,33,34)/t38-;37-;30?,35-;35-;26?,30-/m00000/s1
InChIKeyGAGCRKNYUWBVLD-FMGXBUAVSA-N
XLogP22.67
TPSA635.92 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds53
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003180.94
LogP ≤ 522.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Analyze 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]ethanone;2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]ethanone
CID 157330137
CID 157954791
CID 157954791
1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone
CID 58371959
(3S)-1-[1,1-dideuterio-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methylsulfanylpyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-1-[2-[4-fluoro-4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-3-methylsulfanylpyrrolidine-3-carboxamide
CID 157050745
(3S)-N-[3-(2-ethoxy-4-pyridinyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-3-methylsulfanyl-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 157492157
(3S)-N-[3-[4-fluoro-3-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(methoxymethyl)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(methoxymethyl)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 157548192
2-chloro-1-[1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone
CID 157642670
2-(3-furo[3,2-c]pyridin-2-yl-1H-indazol-5-yl)-1-[(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidin-3-yl]ethanone;2-(3-furo[3,2-c]pyridin-2-yl-1H-indazol-5-yl)-1-[(3S)-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidin-3-yl]ethanone
CID 157765345
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;2-(3-furo[3,2-c]pyridin-2-yl-1H-indazol-5-yl)-1-[(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidin-3-yl]ethanone;2-(3-furo[3,2-c]pyridin-2-yl-1H-indazol-5-yl)-1-[(3S)-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidin-3-yl]ethanone
CID 157866062
(3S)-3-methoxy-1-[2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-3-methylsulfanyl-1-[2-oxo-2-[4-[4-(1-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-3-methylsulfanyl-1-[2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 158098332
(3S)-3-methoxy-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-propan-2-yloxy-4-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3S)-3-methylsulfanyl-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 158250292
(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 158365264

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone?
The IUPAC name of 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone (CID 158195156) is 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone.
What is the SMILES notation for 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone?
The canonical SMILES for 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone is CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)C2CCN(c3ccc(-c4ncn(C)n4)cn3)CC2)C1.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccncc4)c3c2)CCN(CC(=O)C2CCN(c3ccc(-c4ncccn4)cn3)CC2)C1.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccncc4)c3c2)CCN(CC(O)C2CCN(c3ccc(-c4ncccn4)cn3)CC2)C1.CS[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)C2CCN(c3ccc(-c4ncccn4)cn3)CC2)C1.CS[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(O)C2CCN(c3nccs3)CC2)C1.
What is the InChIKey of 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone?
The InChIKey is GAGCRKNYUWBVLD-FMGXBUAVSA-N. The full InChI is InChI=1S/C38H42N8O3S.C37H43N9O4.C35H38N8O3.C35H36N8O3.C30H36N6O2S2/c1-25(2)49-35-10-7-28(21-42-35)36-30-19-26(5-8-31(30)43-44-36)20-33(48)38(50-3)13-18-45(24-38)23-32(47)27-11-16-46(17-12-27)34-9-6-29(22-41-34)37-39-14-4-15-40-37;1-24(2)50-34-10-7-27(19-39-34)35-29-17-25(5-8-30(29)41-42-35)18-32(48)37(49-4)13-16-45(22-37)21-31(47)26-11-14-46(15-12-26)33-9-6-28(20-38-33)36-40-23-44(3)43-36;2*1-46-35(31(45)20-24-3-5-29-28(19-24)33(41-40-29)26-7-14-36-15-8-26)11-18-42(23-35)22-30(44)25-9-16-43(17-10-25)32-6-4-27(21-39-32)34-37-12-2-13-38-34;1-20-15-23(5-9-31-20)28-24-16-21(3-4-25(24)33-34-28)17-27(38)30(39-2)8-13-35(19-30)18-26(37)22-6-11-36(12-7-22)29-32-10-14-40-29/h4-10,14-15,19,21-22,25,27H,11-13,16-18,20,23-24H2,1-3H3,(H,43,44);5-10,17,19-20,23-24,26H,11-16,18,21-22H2,1-4H3,(H,41,42);2-8,12-15,19,21,25,30,44H,9-11,16-18,20,22-23H2,1H3,(H,40,41);2-8,12-15,19,21,25H,9-11,16-18,20,22-23H2,1H3,(H,40,41);3-5,9-10,14-16,22,26,37H,6-8,11-13,17-19H2,1-2H3,(H,33,34)/t38-;37-;30?,35-;35-;26?,30-/m00000/s1.
What are the key properties of 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone?
1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone has a molecular weight of 3180.94 g/mol, XLogP of 22.67, 53 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]-3-methoxypyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-1-[2-hydroxy-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]-3-methylsulfanylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-[1-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]piperidin-4-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone is sourced from PubChem (CID 158195156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).