(5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate

C115H120F10N24O14 — CID 159191303

About (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate

(5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate (PubChem CID 159191303) has the molecular formula C115H120F10N24O14 and a molecular weight of 2252.36 g/mol. Its IUPAC name is (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

• Compound Name: (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate
• PubChem CID: 159191303
• Molecular Formula: C115H120F10N24O14
• Molecular Weight: 2252.36 g/mol
• Exact Mass: 2250.93
• IUPAC Name: (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate
• SMILES: CC1C(=O)O[C@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)[C@H]1C.CC1N(CC(=O)O)C(=O)O[C@]12CCC[C@H](Cc1nc(-c3c[nH]c4ncc(F)cc34)ncc1F)C2.CCN1C(=O)O[C@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)C1C.COC(=O)CN1C(=O)O[C@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)C1C.C[C@@H]1N(C)C(=O)O[C@]12CCC[C@H](Cc1nc(-c3c[nH]c4ncc(F)cc34)ncc1F)C2
• InChI: InChI=1S/C24H25F2N5O4.C23H23F2N5O4.C23H25F2N5O2.C23H24F2N4O2.C22H23F2N5O2/c1-13-24(35-23(33)31(13)12-20(32)34-2)5-3-4-14(8-24)6-19-18(26)11-29-22(30-19)17-10-28-21-16(17)7-15(25)9-27-21;1-12-23(34-22(33)30(12)11-19(31)32)4-2-3-13(7-23)5-18-17(25)10-28-21(29-18)16-9-27-20-15(16)6-14(24)8-26-20;1-3-30-13(2)23(32-22(30)31)6-4-5-14(9-23)7-19-18(25)12-28-21(29-19)17-11-27-20-16(17)8-15(24)10-26-20;1-12-13(2)23(31-22(12)30)5-3-4-14(8-23)6-19-18(25)11-28-21(29-19)17-10-27-20-16(17)7-15(24)9-26-20;1-12-22(31-21(30)29(12)2)5-3-4-13(8-22)6-18-17(24)11-27-20(28-18)16-10-26-19-15(16)7-14(23)9-25-19/h7,9-11,13-14H,3-6,8,12H2,1-2H3,(H,27,28);6,8-10,12-13H,2-5,7,11H2,1H3,(H,26,27)(H,31,32);8,10-14H,3-7,9H2,1-2H3,(H,26,27);7,9-14H,3-6,8H2,1-2H3,(H,26,27);7,9-13H,3-6,8H2,1-2H3,(H,25,26)/t13?,14-,24+;12?,13-,23+;13?,14-,23+;12?,13-,14+,23-;12-,13+,22-/m11100/s1
• InChIKey: KOCTXDJJCCTMEG-AEEYMJCKSA-N
• XLogP: 20.95
• TPSA: 480.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2252.36
LogP ≤ 5	20.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate (CID 159191303) is (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate is CC1C(=O)O[C@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)[C@H]1C.CC1N(CC(=O)O)C(=O)O[C@]12CCC[C@H](Cc1nc(-c3c[nH]c4ncc(F)cc34)ncc1F)C2.CCN1C(=O)O[C@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)C1C.COC(=O)CN1C(=O)O[C@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)C1C.C[C@@H]1N(C)C(=O)O[C@]12CCC[C@H](Cc1nc(-c3c[nH]c4ncc(F)cc34)ncc1F)C2.

What is the InChIKey of (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate?

The InChIKey is KOCTXDJJCCTMEG-AEEYMJCKSA-N. The full InChI is InChI=1S/C24H25F2N5O4.C23H23F2N5O4.C23H25F2N5O2.C23H24F2N4O2.C22H23F2N5O2/c1-13-24(35-23(33)31(13)12-20(32)34-2)5-3-4-14(8-24)6-19-18(26)11-29-22(30-19)17-10-28-21-16(17)7-15(25)9-27-21;1-12-23(34-22(33)30(12)11-19(31)32)4-2-3-13(7-23)5-18-17(25)10-28-21(29-18)16-9-27-20-15(16)6-14(24)8-26-20;1-3-30-13(2)23(32-22(30)31)6-4-5-14(9-23)7-19-18(25)12-28-21(29-19)17-11-27-20-16(17)8-15(24)10-26-20;1-12-13(2)23(31-22(12)30)5-3-4-14(8-23)6-19-18(25)11-28-21(29-19)17-10-27-20-16(17)7-15(24)9-26-20;1-12-22(31-21(30)29(12)2)5-3-4-13(8-22)6-18-17(24)11-27-20(28-18)16-10-26-19-15(16)7-14(23)9-25-19/h7,9-11,13-14H,3-6,8,12H2,1-2H3,(H,27,28);6,8-10,12-13H,2-5,7,11H2,1H3,(H,26,27)(H,31,32);8,10-14H,3-7,9H2,1-2H3,(H,26,27);7,9-14H,3-6,8H2,1-2H3,(H,26,27);7,9-13H,3-6,8H2,1-2H3,(H,25,26)/t13?,14-,24+;12?,13-,23+;13?,14-,23+;12?,13-,14+,23-;12-,13+,22-/m11100/s1.

What are the key properties of (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate?

(5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate has a molecular weight of 2252.36 g/mol, XLogP of 20.95, 20 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,7R)-3-ethyl-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one;(4S,5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxaspiro[4.5]decan-2-one;2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetic acid;methyl 2-[(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 159191303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).