(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide

C149H150F7N31O12 — CID 158966915

IUPAC(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)F)c4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C39H42N8O3.C37H38F2N8O3.C37H38FN7O3.C36H32F4N8O3/c1-38(29-8-6-27(7-9-29)36-41-16-3-17-42-36)13-20-47(21-14-38)34(48)24-46-19-15-39(25-46,50-2)37(49)43-30-10-11-32-31(23-30)35(45-44-32)28-12-18-40-33(22-28)26-4-5-26;1-36(26-6-4-24(5-7-26)34-41-14-3-15-42-34)11-18-47(19-12-36)31(48)22-46-17-13-37(23-46,50-2)35(49)43-27-8-9-29-28(21-27)32(45-44-29)25-10-16-40-30(20-25)33(38)39;1-36(27-8-4-26(5-9-27)34-39-17-3-18-40-34)14-20-45(21-15-36)32(46)23-44-19-16-37(24-44,48-2)35(47)41-29-12-13-31-30(22-29)33(43-42-31)25-6-10-28(38)11-7-25;1-51-35(34(50)44-25-4-6-29-27(19-25)32(46-45-29)23-7-13-41-30(18-23)36(38,39)40)10-16-47(21-35)20-31(49)48-14-8-22(9-15-48)26-5-3-24(17-28(26)37)33-42-11-2-12-43-33/h3,6-12,16-18,22-23,26H,4-5,13-15,19-21,24-25H2,1-2H3,(H,43,49)(H,44,45);3-10,14-16,20-21,33H,11-13,17-19,22-23H2,1-2H3,(H,43,49)(H,44,45);3-13,17-18,22H,14-16,19-21,23-24H2,1-2H3,(H,41,47)(H,42,43);2-8,11-13,17-19H,9-10,14-16,20-21H2,1H3,(H,44,50)(H,45,46)/t39-;2*37-;35-/m0000/s1
InChIKeyJNHZJERATPDFMT-DCFJWUOFSA-N
MW2700.03 g/mol
LogP22.22
Rot. Bonds34

About (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide

(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 158966915) has the molecular formula C149H150F7N31O12 and a molecular weight of 2700.03 g/mol. Its IUPAC name is (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID158966915
Molecular FormulaC149H150F7N31O12
Molecular Weight2700.03 g/mol
Exact Mass2698.20
IUPAC Name(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)F)c4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C39H42N8O3.C37H38F2N8O3.C37H38FN7O3.C36H32F4N8O3/c1-38(29-8-6-27(7-9-29)36-41-16-3-17-42-36)13-20-47(21-14-38)34(48)24-46-19-15-39(25-46,50-2)37(49)43-30-10-11-32-31(23-30)35(45-44-32)28-12-18-40-33(22-28)26-4-5-26;1-36(26-6-4-24(5-7-26)34-41-14-3-15-42-34)11-18-47(19-12-36)31(48)22-46-17-13-37(23-46,50-2)35(49)43-27-8-9-29-28(21-27)32(45-44-29)25-10-16-40-30(20-25)33(38)39;1-36(27-8-4-26(5-9-27)34-39-17-3-18-40-34)14-20-45(21-15-36)32(46)23-44-19-16-37(24-44,48-2)35(47)41-29-12-13-31-30(22-29)33(43-42-31)25-6-10-28(38)11-7-25;1-51-35(34(50)44-25-4-6-29-27(19-25)32(46-45-29)23-7-13-41-30(18-23)36(38,39)40)10-16-47(21-35)20-31(49)48-14-8-22(9-15-48)26-5-3-24(17-28(26)37)33-42-11-2-12-43-33/h3,6-12,16-18,22-23,26H,4-5,13-15,19-21,24-25H2,1-2H3,(H,43,49)(H,44,45);3-10,14-16,20-21,33H,11-13,17-19,22-23H2,1-2H3,(H,43,49)(H,44,45);3-13,17-18,22H,14-16,19-21,23-24H2,1-2H3,(H,41,47)(H,42,43);2-8,11-13,17-19H,9-10,14-16,20-21H2,1H3,(H,44,50)(H,45,46)/t39-;2*37-;35-/m0000/s1
InChIKeyJNHZJERATPDFMT-DCFJWUOFSA-N
XLogP22.22
TPSA504.03 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002700.03
LogP ≤ 522.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 58946442
(3S)-N-[3-(4-fluorophenyl)-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
CID 58946448
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-3-propan-2-yloxypyrrolidine-3-carboxamide
CID 145968084
(3S)-3-ethoxy-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 145970383
(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
CID 25155715
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 25155716
(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57685808
(3S)-3-methoxy-N-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 58946444
(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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
CID 58946472
(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(5-fluoropyrimidin-2-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide
CID 24866979
(3S)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1-pyrimidin-2-ylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57685648
(3R)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]-3-(methoxymethyl)pyrrolidine-3-carboxamide
CID 57685663

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide (CID 158966915) is (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide is CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)F)c4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.
What is the InChIKey of (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is JNHZJERATPDFMT-DCFJWUOFSA-N. The full InChI is InChI=1S/C39H42N8O3.C37H38F2N8O3.C37H38FN7O3.C36H32F4N8O3/c1-38(29-8-6-27(7-9-29)36-41-16-3-17-42-36)13-20-47(21-14-38)34(48)24-46-19-15-39(25-46,50-2)37(49)43-30-10-11-32-31(23-30)35(45-44-32)28-12-18-40-33(22-28)26-4-5-26;1-36(26-6-4-24(5-7-26)34-41-14-3-15-42-34)11-18-47(19-12-36)31(48)22-46-17-13-37(23-46,50-2)35(49)43-27-8-9-29-28(21-27)32(45-44-29)25-10-16-40-30(20-25)33(38)39;1-36(27-8-4-26(5-9-27)34-39-17-3-18-40-34)14-20-45(21-15-36)32(46)23-44-19-16-37(24-44,48-2)35(47)41-29-12-13-31-30(22-29)33(43-42-31)25-6-10-28(38)11-7-25;1-51-35(34(50)44-25-4-6-29-27(19-25)32(46-45-29)23-7-13-41-30(18-23)36(38,39)40)10-16-47(21-35)20-31(49)48-14-8-22(9-15-48)26-5-3-24(17-28(26)37)33-42-11-2-12-43-33/h3,6-12,16-18,22-23,26H,4-5,13-15,19-21,24-25H2,1-2H3,(H,43,49)(H,44,45);3-10,14-16,20-21,33H,11-13,17-19,22-23H2,1-2H3,(H,43,49)(H,44,45);3-13,17-18,22H,14-16,19-21,23-24H2,1-2H3,(H,41,47)(H,42,43);2-8,11-13,17-19H,9-10,14-16,20-21H2,1H3,(H,44,50)(H,45,46)/t39-;2*37-;35-/m0000/s1.
What are the key properties of (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 2700.03 g/mol, XLogP of 22.22, 34 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 158966915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).