(3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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

C103H106F2N22O10S — CID 159761801

About (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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

(3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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 (PubChem CID 159761801) has the molecular formula C103H106F2N22O10S and a molecular weight of 1882.19 g/mol. Its IUPAC name is (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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.

Molecular Properties

• Compound Name: (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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
• PubChem CID: 159761801
• Molecular Formula: C103H106F2N22O10S
• Molecular Weight: 1882.19 g/mol
• Exact Mass: 1880.82
• IUPAC Name: (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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
• SMILES: CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4cc(C)nc(C)c4)c3c2)CCN(CC(=O)N2CCC(F)(c3nccs3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.COc1cc(-c2n[nH]c3ccc(NC(=O)[C@]4(OC)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)ccc1F
• InChI: InChI=1S/C37H36FN7O4.C36H36N8O3.C30H34FN7O3S/c1-48-32-20-27(8-10-30(32)38)34-29-21-28(9-11-31(29)42-43-34)41-36(47)37(49-2)14-19-44(23-37)22-33(46)45-17-12-25(13-18-45)24-4-6-26(7-5-24)35-39-15-3-16-40-35;1-24-20-28(10-16-37-24)33-30-21-29(8-9-31(30)41-42-33)40-35(46)36(47-2)13-19-43(23-36)22-32(45)44-17-11-26(12-18-44)25-4-6-27(7-5-25)34-38-14-3-15-39-34;1-19-14-21(15-20(2)33-19)26-23-16-22(4-5-24(23)35-36-26)34-27(40)30(41-3)8-10-37(18-30)17-25(39)38-11-6-29(31,7-12-38)28-32-9-13-42-28/h3-12,15-16,20-21H,13-14,17-19,22-23H2,1-2H3,(H,41,47)(H,42,43);3-11,14-16,20-21H,12-13,17-19,22-23H2,1-2H3,(H,40,46)(H,41,42);4-5,9,13-16H,6-8,10-12,17-18H2,1-3H3,(H,34,40)(H,35,36)/t37-;36-;30-/m000/s1
• InChIKey: NEZIKVPFEDOYMZ-BSULKJBYSA-N
• XLogP: 14.13
• TPSA: 371.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.19
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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?

The IUPAC name of (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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 159761801) is (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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.

What is the SMILES notation for (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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?

The canonical SMILES for (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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 is CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4cc(C)nc(C)c4)c3c2)CCN(CC(=O)N2CCC(F)(c3nccs3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.COc1cc(-c2n[nH]c3ccc(NC(=O)[C@]4(OC)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)ccc1F.

What is the InChIKey of (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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?

The InChIKey is NEZIKVPFEDOYMZ-BSULKJBYSA-N. The full InChI is InChI=1S/C37H36FN7O4.C36H36N8O3.C30H34FN7O3S/c1-48-32-20-27(8-10-30(32)38)34-29-21-28(9-11-31(29)42-43-34)41-36(47)37(49-2)14-19-44(23-37)22-33(46)45-17-12-25(13-18-45)24-4-6-26(7-5-24)35-39-15-3-16-40-35;1-24-20-28(10-16-37-24)33-30-21-29(8-9-31(30)41-42-33)40-35(46)36(47-2)13-19-43(23-36)22-32(45)44-17-11-26(12-18-44)25-4-6-27(7-5-25)34-38-14-3-15-39-34;1-19-14-21(15-20(2)33-19)26-23-16-22(4-5-24(23)35-36-26)34-27(40)30(41-3)8-10-37(18-30)17-25(39)38-11-6-29(31,7-12-38)28-32-9-13-42-28/h3-12,15-16,20-21H,13-14,17-19,22-23H2,1-2H3,(H,41,47)(H,42,43);3-11,14-16,20-21H,12-13,17-19,22-23H2,1-2H3,(H,40,46)(H,41,42);4-5,9,13-16H,6-8,10-12,17-18H2,1-3H3,(H,34,40)(H,35,36)/t37-;36-;30-/m000/s1.

What are the key properties of (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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?

(3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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 has a molecular weight of 1882.19 g/mol, XLogP of 14.13, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-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 is sourced from PubChem (CID 159761801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).