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

C92H89F3N26O9S2 — CID 158582666

About (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide

(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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 158582666) has the molecular formula C92H89F3N26O9S2 and a molecular weight of 1824.02 g/mol. Its IUPAC name is (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-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: (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 158582666
• Molecular Formula: C92H89F3N26O9S2
• Molecular Weight: 1824.02 g/mol
• Exact Mass: 1822.67
• IUPAC Name: (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
• SMILES: CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3cnn(-c4ncccn4)c3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3ncc(-c4ncccn4)s3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3nccs3)CC2)C1
• InChI: InChI=1S/C32H31FN10O3.C32H30FN9O3S.C28H28FN7O3S/c1-46-32(30(45)38-24-4-5-26-25(15-24)29(40-39-26)22-3-6-27(33)36-16-22)9-14-41(20-32)19-28(44)42-12-7-21(8-13-42)23-17-37-43(18-23)31-34-10-2-11-35-31;1-45-32(31(44)38-22-4-5-24-23(15-22)28(40-39-24)21-3-6-26(33)36-16-21)9-14-41(19-32)18-27(43)42-12-7-20(8-13-42)30-37-17-25(46-30)29-34-10-2-11-35-29;1-39-28(8-12-35(17-28)16-24(37)36-10-6-18(7-11-36)26-30-9-13-40-26)27(38)32-20-3-4-22-21(14-20)25(34-33-22)19-2-5-23(29)31-15-19/h2-7,10-11,15-18H,8-9,12-14,19-20H2,1H3,(H,38,45)(H,39,40);2-7,10-11,15-17H,8-9,12-14,18-19H2,1H3,(H,38,44)(H,39,40);2-6,9,13-15H,7-8,10-12,16-17H2,1H3,(H,32,38)(H,33,34)/t2*32-;28-/m000/s1
• InChIKey: HTLFIUKOSAHMSK-FGHKSONBSA-N
• XLogP: 10.67
• TPSA: 405.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1824.02
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-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 (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide (CID 158582666) is (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-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 (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-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 (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide is CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3cnn(-c4ncccn4)c3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3ncc(-c4ncccn4)s3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)CCN(CC(=O)N2CC=C(c3nccs3)CC2)C1.

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

The InChIKey is HTLFIUKOSAHMSK-FGHKSONBSA-N. The full InChI is InChI=1S/C32H31FN10O3.C32H30FN9O3S.C28H28FN7O3S/c1-46-32(30(45)38-24-4-5-26-25(15-24)29(40-39-26)22-3-6-27(33)36-16-22)9-14-41(20-32)19-28(44)42-12-7-21(8-13-42)23-17-37-43(18-23)31-34-10-2-11-35-31;1-45-32(31(44)38-22-4-5-24-23(15-22)28(40-39-24)21-3-6-26(33)36-16-21)9-14-41(19-32)18-27(43)42-12-7-20(8-13-42)30-37-17-25(46-30)29-34-10-2-11-35-29;1-39-28(8-12-35(17-28)16-24(37)36-10-6-18(7-11-36)26-30-9-13-40-26)27(38)32-20-3-4-22-21(14-20)25(34-33-22)19-2-5-23(29)31-15-19/h2-7,10-11,15-18H,8-9,12-14,19-20H2,1H3,(H,38,45)(H,39,40);2-7,10-11,15-17H,8-9,12-14,18-19H2,1H3,(H,38,44)(H,39,40);2-6,9,13-15H,7-8,10-12,16-17H2,1H3,(H,32,38)(H,33,34)/t2*32-;28-/m000/s1.

What are the key properties of (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide?

(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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-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 1824.02 g/mol, XLogP of 10.67, 23 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (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;(3S)-N-[3-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-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 158582666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).