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

C135H190N20O16 — CID 159839096

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

2-[2-(propan-2-yloxymethyl)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) (PubChem CID 159839096) has the molecular formula C135H190N20O16 and a molecular weight of 2349.13 g/mol. Its IUPAC name is 2-[2-(propan-2-yloxymethyl)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid).

Molecular Properties

• Compound Name: 2-[2-(propan-2-yloxymethyl)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)
• PubChem CID: 159839096
• Molecular Formula: C135H190N20O16
• Molecular Weight: 2349.13 g/mol
• Exact Mass: 2347.47
• IUPAC Name: 2-[2-(propan-2-yloxymethyl)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid)
• SMILES: CC(C)OCc1ncccc1C(C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/C27H38N4O4.4C27H38N4O3/c1-19(2)35-18-24-23(9-6-13-28-24)25(27(32)33)31-15-12-22(17-31)34-16-4-3-8-21-11-10-20-7-5-14-29-26(20)30-21;4*1-19(2)34-26-23(11-7-16-29-26)24(27(32)33)31-17-14-20(18-31)8-4-3-5-10-22-13-12-21-9-6-15-28-25(21)30-22/h6,9-11,13,19,22,25H,3-5,7-8,12,14-18H2,1-2H3,(H,29,30)(H,32,33);4*7,11-13,16,19-20,24H,3-6,8-10,14-15,17-18H2,1-2H3,(H,28,30)(H,32,33)/t22-,25?;2*20-,24+;2*20-,24-/m11111/s1
• InChIKey: NOLMJOKPOKTNRX-HTVDSHPSSA-N
• XLogP: 23.49
• TPSA: 447.13 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 56
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2349.13
LogP ≤ 5	23.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[2-(propan-2-yloxymethyl)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) (CID 159839096) is 2-[2-(propan-2-yloxymethyl)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid).

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

The canonical SMILES for 2-[2-(propan-2-yloxymethyl)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) is CC(C)OCc1ncccc1C(C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.CC(C)Oc1ncccc1[C@H](C(=O)O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.

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

The InChIKey is NOLMJOKPOKTNRX-HTVDSHPSSA-N. The full InChI is InChI=1S/C27H38N4O4.4C27H38N4O3/c1-19(2)35-18-24-23(9-6-13-28-24)25(27(32)33)31-15-12-22(17-31)34-16-4-3-8-21-11-10-20-7-5-14-29-26(20)30-21;4*1-19(2)34-26-23(11-7-16-29-26)24(27(32)33)31-17-14-20(18-31)8-4-3-5-10-22-13-12-21-9-6-15-28-25(21)30-22/h6,9-11,13,19,22,25H,3-5,7-8,12,14-18H2,1-2H3,(H,29,30)(H,32,33);4*7,11-13,16,19-20,24H,3-6,8-10,14-15,17-18H2,1-2H3,(H,28,30)(H,32,33)/t22-,25?;2*20-,24+;2*20-,24-/m11111/s1.

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

2-[2-(propan-2-yloxymethyl)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) has a molecular weight of 2349.13 g/mol, XLogP of 23.49, 56 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(propan-2-yloxymethyl)-3-pyridinyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;bis((2S)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid);bis((2R)-2-(2-propan-2-yloxy-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid) is sourced from PubChem (CID 159839096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).