2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

C119H166F2N12O15 — CID 157137490

About 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (PubChem CID 157137490) has the molecular formula C119H166F2N12O15 and a molecular weight of 2042.70 g/mol. Its IUPAC name is 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol.

Molecular Properties

• Compound Name: 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol
• PubChem CID: 157137490
• Molecular Formula: C119H166F2N12O15
• Molecular Weight: 2042.70 g/mol
• Exact Mass: 2041.26
• IUPAC Name: 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol
• SMILES: C=C(O)[C@@H](c1ccccc1[C@H](C)OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.C=C(O)[C@H](c1ccccc1[C@H](C)OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1cc(CCCCO[C@@H]2CCN(C(C(C)=O)c3cc(F)ccc3COC(C)C)C2)nc2c1CCCN2.O=C(O)C(c1cccc(F)c1CO[C@@H]1CCOC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/C30H42FN3O4.2C30H43N3O3.C29H38FN3O5/c1-20(2)38-19-22-10-11-23(31)16-27(22)29(21(3)35)34-14-12-25(18-34)37-15-6-5-8-24-17-28(36-4)26-9-7-13-32-30(26)33-24;2*1-21(2)36-23(4)27-12-5-6-13-28(27)29(22(3)34)33-18-16-26(20-33)35-19-8-7-11-25-15-14-24-10-9-17-31-30(24)32-25;30-26-8-3-7-24(25(26)19-38-23-12-16-36-18-23)27(29(34)35)33-14-11-22(17-33)37-15-2-1-6-21-10-9-20-5-4-13-31-28(20)32-21/h10-11,16-17,20,25,29H,5-9,12-15,18-19H2,1-4H3,(H,32,33);2*5-6,12-15,21,23,26,29,34H,3,7-11,16-20H2,1-2,4H3,(H,31,32);3,7-10,22-23,27H,1-2,4-6,11-19H2,(H,31,32)(H,34,35)/t25-,29?;23-,26+,29+;23-,26+,29-;22-,23-,27?/m1001/s1
• InChIKey: AJUGGXLXJOMQJA-SPZZLAFOSA-N
• XLogP: 21.68
• TPSA: 299.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 49
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.70
LogP ≤ 5	21.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The IUPAC name of 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (CID 157137490) is 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol.

What is the SMILES notation for 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The canonical SMILES for 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol is C=C(O)[C@@H](c1ccccc1[C@H](C)OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.C=C(O)[C@H](c1ccccc1[C@H](C)OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1cc(CCCCO[C@@H]2CCN(C(C(C)=O)c3cc(F)ccc3COC(C)C)C2)nc2c1CCCN2.O=C(O)C(c1cccc(F)c1CO[C@@H]1CCOC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.

What is the InChIKey of 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The InChIKey is AJUGGXLXJOMQJA-SPZZLAFOSA-N. The full InChI is InChI=1S/C30H42FN3O4.2C30H43N3O3.C29H38FN3O5/c1-20(2)38-19-22-10-11-23(31)16-27(22)29(21(3)35)34-14-12-25(18-34)37-15-6-5-8-24-17-28(36-4)26-9-7-13-32-30(26)33-24;2*1-21(2)36-23(4)27-12-5-6-13-28(27)29(22(3)34)33-18-16-26(20-33)35-19-8-7-11-25-15-14-24-10-9-17-31-30(24)32-25;30-26-8-3-7-24(25(26)19-38-23-12-16-36-18-23)27(29(34)35)33-14-11-22(17-33)37-15-2-1-6-21-10-9-20-5-4-13-31-28(20)32-21/h10-11,16-17,20,25,29H,5-9,12-15,18-19H2,1-4H3,(H,32,33);2*5-6,12-15,21,23,26,29,34H,3,7-11,16-20H2,1-2,4H3,(H,31,32);3,7-10,22-23,27H,1-2,4-6,11-19H2,(H,31,32)(H,34,35)/t25-,29?;23-,26+,29+;23-,26+,29-;22-,23-,27?/m1001/s1.

What are the key properties of 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol has a molecular weight of 2042.70 g/mol, XLogP of 21.68, 49 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-2-[[(3R)-oxolan-3-yl]oxymethyl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]-1-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(3S)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-[2-[(1S)-1-propan-2-yloxyethyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol is sourced from PubChem (CID 157137490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).