(3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide

C97H99F4N21O9S — CID 157074102

About (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide

(3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 157074102) has the molecular formula C97H99F4N21O9S and a molecular weight of 1811.06 g/mol. Its IUPAC name is (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 157074102
• Molecular Formula: C97H99F4N21O9S
• Molecular Weight: 1811.06 g/mol
• Exact Mass: 1809.76
• IUPAC Name: (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
• SMILES: COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3cccc(F)c3)CC2)C1.COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3nccs3)CC2)C1.COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1
• InChI: InChI=1S/C36H37FN8O3.C32H32F2N6O3.C29H30FN7O3S/c1-48-23-36(35(47)41-28-8-9-30-29(19-28)33(43-42-30)27-7-10-31(37)40-20-27)13-18-44(22-36)21-32(46)45-16-11-25(12-17-45)24-3-5-26(6-4-24)34-38-14-2-15-39-34;1-43-20-32(31(42)36-25-6-7-27-26(16-25)30(38-37-27)23-5-8-28(34)35-17-23)11-14-39(19-32)18-29(41)40-12-9-21(10-13-40)22-3-2-4-24(33)15-22;1-40-18-29(8-12-36(17-29)16-25(38)37-10-6-19(7-11-37)27-31-9-13-41-27)28(39)33-21-3-4-23-22(14-21)26(35-34-23)20-2-5-24(30)32-15-20/h2-10,14-15,19-20,25H,11-13,16-18,21-23H2,1H3,(H,41,47)(H,42,43);2-9,15-17H,10-14,18-20H2,1H3,(H,36,42)(H,37,38);2-6,9,13-15H,7-8,10-12,16-18H2,1H3,(H,33,39)(H,34,35)/t36-;32-;29-/m111/s1
• InChIKey: ACTQTJACVCSBIO-UONFUVRTSA-N
• XLogP: 13.21
• TPSA: 349.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1811.06
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide (CID 157074102) is (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide is COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3cccc(F)c3)CC2)C1.COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3nccs3)CC2)C1.COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1.

What is the InChIKey of (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide?

The InChIKey is ACTQTJACVCSBIO-UONFUVRTSA-N. The full InChI is InChI=1S/C36H37FN8O3.C32H32F2N6O3.C29H30FN7O3S/c1-48-23-36(35(47)41-28-8-9-30-29(19-28)33(43-42-30)27-7-10-31(37)40-20-27)13-18-44(22-36)21-32(46)45-16-11-25(12-17-45)24-3-5-26(6-4-24)34-38-14-2-15-39-34;1-43-20-32(31(42)36-25-6-7-27-26(16-25)30(38-37-27)23-5-8-28(34)35-17-23)11-14-39(19-32)18-29(41)40-12-9-21(10-13-40)22-3-2-4-24(33)15-22;1-40-18-29(8-12-36(17-29)16-25(38)37-10-6-19(7-11-37)27-31-9-13-41-27)28(39)33-21-3-4-23-22(14-21)26(35-34-23)20-2-5-24(30)32-15-20/h2-10,14-15,19-20,25H,11-13,16-18,21-23H2,1H3,(H,41,47)(H,42,43);2-9,15-17H,10-14,18-20H2,1H3,(H,36,42)(H,37,38);2-6,9,13-15H,7-8,10-12,16-18H2,1H3,(H,33,39)(H,34,35)/t36-;32-;29-/m111/s1.

What are the key properties of (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide?

(3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 1811.06 g/mol, XLogP of 13.21, 25 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 157074102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).