(2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane

C93H127F3N8O10 — CID 159323275

About (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane

(2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane (PubChem CID 159323275) has the molecular formula C93H127F3N8O10 and a molecular weight of 1574.08 g/mol. Its IUPAC name is (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane.

Molecular Properties

• Compound Name: (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane
• PubChem CID: 159323275
• Molecular Formula: C93H127F3N8O10
• Molecular Weight: 1574.08 g/mol
• Exact Mass: 1572.96
• IUPAC Name: (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane
• SMILES: C.O=C(O)[C@@H](c1cc(F)ccc1C1CCCCC1)N1CC[C@@H](OCCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1cc(F)ccc1C1CCCCC1)N1CC[C@@H](OCCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1cccc(F)c1[C@@H]1CCCCO1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1
• InChI: InChI=1S/2C31H42FN3O3.C30H39FN2O4.CH4/c2*32-24-13-15-27(22-8-3-1-4-9-22)28(20-24)29(31(36)37)35-18-16-26(21-35)38-19-6-2-5-11-25-14-12-23-10-7-17-33-30(23)34-25;31-25-11-7-10-24(28(25)27-13-4-6-19-37-27)29(30(34)35)33-17-16-23(20-33)36-18-5-3-9-22-15-14-21-8-1-2-12-26(21)32-22;/h2*12-15,20,22,26,29H,1-11,16-19,21H2,(H,33,34)(H,36,37);7,10-11,14-15,23,27,29H,1-6,8-9,12-13,16-20H2,(H,34,35);1H4/t26-,29+;26-,29-;23-,27+,29+;/m111./s1
• InChIKey: LEANZUAANLITFC-IPTBVPHRSA-N
• XLogP: 18.73
• TPSA: 221.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.08
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane?

The IUPAC name of (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane (CID 159323275) is (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane.

What is the SMILES notation for (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane?

The canonical SMILES for (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane is C.O=C(O)[C@@H](c1cc(F)ccc1C1CCCCC1)N1CC[C@@H](OCCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1cc(F)ccc1C1CCCCC1)N1CC[C@@H](OCCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1cccc(F)c1[C@@H]1CCCCO1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.

What is the InChIKey of (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane?

The InChIKey is LEANZUAANLITFC-IPTBVPHRSA-N. The full InChI is InChI=1S/2C31H42FN3O3.C30H39FN2O4.CH4/c2*32-24-13-15-27(22-8-3-1-4-9-22)28(20-24)29(31(36)37)35-18-16-26(21-35)38-19-6-2-5-11-25-14-12-23-10-7-17-33-30(23)34-25;31-25-11-7-10-24(28(25)27-13-4-6-19-37-27)29(30(34)35)33-17-16-23(20-33)36-18-5-3-9-22-15-14-21-8-1-2-12-26(21)32-22;/h2*12-15,20,22,26,29H,1-11,16-19,21H2,(H,33,34)(H,36,37);7,10-11,14-15,23,27,29H,1-6,8-9,12-13,16-20H2,(H,34,35);1H4/t26-,29+;26-,29-;23-,27+,29+;/m111./s1.

What are the key properties of (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane?

(2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane has a molecular weight of 1574.08 g/mol, XLogP of 18.73, 32 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclohexyl-5-fluorophenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[3-fluoro-2-[(2S)-oxan-2-yl]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;methane is sourced from PubChem (CID 159323275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).