methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)

C145H218N16O16 — CID 160898923

About methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)

methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) (PubChem CID 160898923) has the molecular formula C145H218N16O16 and a molecular weight of 2441.43 g/mol. Its IUPAC name is methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid).

Molecular Properties

• Compound Name: methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)
• PubChem CID: 160898923
• Molecular Formula: C145H218N16O16
• Molecular Weight: 2441.43 g/mol
• Exact Mass: 2439.67
• IUPAC Name: methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)
• SMILES: C.C.C.C.C.C.CC(C)COc1ncccc1C(C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.CC(C)Oc1ncccc1[C@@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.CC(C)Oc1ncccc1[C@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.CC(C)Oc1ncccc1[C@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1
• InChI: InChI=1S/4C28H39N3O3.C27H38N4O4.6CH4/c4*1-20(2)34-27-24(12-8-17-29-27)26(28(32)33)31-18-16-21(19-31)9-4-3-5-11-23-15-14-22-10-6-7-13-25(22)30-23;1-19(2)18-35-26-23(9-6-14-29-26)24(27(32)33)31-15-12-22(17-31)34-16-4-3-8-21-11-10-20-7-5-13-28-25(20)30-21;;;;;;/h4*8,12,14-15,17,20-21,26H,3-7,9-11,13,16,18-19H2,1-2H3,(H,32,33);6,9-11,14,19,22,24H,3-5,7-8,12-13,15-18H2,1-2H3,(H,28,30)(H,32,33);6*1H4/t2*21-,26+;2*21-,26-;22-,24?;;;;;;/m11111....../s1
• InChIKey: SPFXVPYGADEZIM-ZDPSGXOYSA-N
• XLogP: 29.50
• TPSA: 399.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 56
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2441.43
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)?

The IUPAC name of methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) (CID 160898923) is methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid).

What is the SMILES notation for methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)?

The canonical SMILES for methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) is C.C.C.C.C.C.CC(C)COc1ncccc1C(C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.CC(C)Oc1ncccc1[C@@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.CC(C)Oc1ncccc1[C@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.CC(C)Oc1ncccc1[C@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.

What is the InChIKey of methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)?

The InChIKey is SPFXVPYGADEZIM-ZDPSGXOYSA-N. The full InChI is InChI=1S/4C28H39N3O3.C27H38N4O4.6CH4/c4*1-20(2)34-27-24(12-8-17-29-27)26(28(32)33)31-18-16-21(19-31)9-4-3-5-11-23-15-14-22-10-6-7-13-25(22)30-23;1-19(2)18-35-26-23(9-6-14-29-26)24(27(32)33)31-15-12-22(17-31)34-16-4-3-8-21-11-10-20-7-5-13-28-25(20)30-21;;;;;;/h4*8,12,14-15,17,20-21,26H,3-7,9-11,13,16,18-19H2,1-2H3,(H,32,33);6,9-11,14,19,22,24H,3-5,7-8,12-13,15-18H2,1-2H3,(H,28,30)(H,32,33);6*1H4/t2*21-,26+;2*21-,26-;22-,24?;;;;;;/m11111....../s1.

What are the key properties of methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)?

methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) has a molecular weight of 2441.43 g/mol, XLogP of 29.50, 56 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[2-(2-methylpropoxy)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) is sourced from PubChem (CID 160898923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).