(3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide

C112H109FN24O13S — CID 159603055

About (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-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-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 159603055) has the molecular formula C112H109FN24O13S and a molecular weight of 2050.32 g/mol. Its IUPAC name is (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 159603055
• Molecular Formula: C112H109FN24O13S
• Molecular Weight: 2050.32 g/mol
• Exact Mass: 2048.83
• IUPAC Name: (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
• SMILES: CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(N5CCOC5=O)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(N5CCOC5=O)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4cnc(C)s4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1
• InChI: InChI=1S/C39H37FN8O5.C39H38N8O5.C34H34N8O3S/c1-52-39(13-18-46(24-39)23-34(49)47-16-11-26(12-17-47)25-3-5-27(6-4-25)36-41-14-2-15-42-36)37(50)43-29-8-10-32-30(22-29)35(45-44-32)28-7-9-31(40)33(21-28)48-19-20-53-38(48)51;1-51-39(37(49)42-30-9-12-33-32(23-30)35(44-43-33)28-7-10-31(11-8-28)47-21-22-52-38(47)50)15-20-45(25-39)24-34(48)46-18-13-27(14-19-46)26-3-5-29(6-4-26)36-40-16-2-17-41-36;1-22-37-19-29(46-22)31-27-18-26(8-9-28(27)39-40-31)38-33(44)34(45-2)12-17-41(21-34)20-30(43)42-15-10-24(11-16-42)23-4-6-25(7-5-23)32-35-13-3-14-36-32/h2-11,14-15,21-22H,12-13,16-20,23-24H2,1H3,(H,43,50)(H,44,45);2-13,16-17,23H,14-15,18-22,24-25H2,1H3,(H,42,49)(H,43,44);3-10,13-14,18-19H,11-12,15-17,20-21H2,1-2H3,(H,38,44)(H,39,40)/t2*39-;34-/m000/s1
• InChIKey: MLSPWWHHWLMGSU-PTMKFRSPSA-N
• XLogP: 14.91
• TPSA: 420.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2050.32
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-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 159603055) is (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide is CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(N5CCOC5=O)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(N5CCOC5=O)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4cnc(C)s4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.

What is the InChIKey of (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide?

The InChIKey is MLSPWWHHWLMGSU-PTMKFRSPSA-N. The full InChI is InChI=1S/C39H37FN8O5.C39H38N8O5.C34H34N8O3S/c1-52-39(13-18-46(24-39)23-34(49)47-16-11-26(12-17-47)25-3-5-27(6-4-25)36-41-14-2-15-42-36)37(50)43-29-8-10-32-30(22-29)35(45-44-32)28-7-9-31(40)33(21-28)48-19-20-53-38(48)51;1-51-39(37(49)42-30-9-12-33-32(23-30)35(44-43-33)28-7-10-31(11-8-28)47-21-22-52-38(47)50)15-20-45(25-39)24-34(48)46-18-13-27(14-19-46)26-3-5-29(6-4-26)36-40-16-2-17-41-36;1-22-37-19-29(46-22)31-27-18-26(8-9-28(27)39-40-31)38-33(44)34(45-2)12-17-41(21-34)20-30(43)42-15-10-24(11-16-42)23-4-6-25(7-5-23)32-35-13-3-14-36-32/h2-11,14-15,21-22H,12-13,16-20,23-24H2,1H3,(H,43,50)(H,44,45);2-13,16-17,23H,14-15,18-22,24-25H2,1H3,(H,42,49)(H,43,44);3-10,13-14,18-19H,11-12,15-17,20-21H2,1-2H3,(H,38,44)(H,39,40)/t2*39-;34-/m000/s1.

What are the key properties of (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-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-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 2050.32 g/mol, XLogP of 14.91, 26 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)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)-3-methoxy-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 159603055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).