(2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one

C163H218N16O20 — CID 157345709

IUPAC(2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)[C@@H](c1ccccc1OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CCOc1ccccc1C(C(C)=O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1C(C(C)=O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1cccc2c1OCC2)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1cccc2c1OCC2)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/2C29H40N2O3.C27H37N3O3.2C26H33N3O4.C26H35N3O3/c2*1-21(2)34-28-14-7-5-12-26(28)29(22(3)32)31-18-17-25(20-31)33-19-9-8-11-24-16-15-23-10-4-6-13-27(23)30-24;1-3-32-25-12-5-4-11-24(25)26(20(2)31)30-17-15-23(19-30)33-18-7-6-10-22-14-13-21-9-8-16-28-27(21)29-22;2*30-26(31)23(22-8-3-5-18-12-16-33-24(18)22)29-14-11-21(17-29)32-15-2-1-7-20-10-9-19-6-4-13-27-25(19)28-20;1-19(30)25(23-10-3-4-11-24(23)31-2)29-16-14-22(18-29)32-17-6-5-9-21-13-12-20-8-7-15-27-26(20)28-21/h2*5,7,12,14-16,21,25,29H,4,6,8-11,13,17-20H2,1-3H3;4-5,11-14,23,26H,3,6-10,15-19H2,1-2H3,(H,28,29);2*3,5,8-10,21,23H,1-2,4,6-7,11-17H2,(H,27,28)(H,30,31);3-4,10-13,22,25H,5-9,14-18H2,1-2H3,(H,27,28)/t25-,29+;25-,29-;23-,26?;21-,23+;21-,23-;22-,25?/m111111/s1
InChIKeyBGYCJUOPNRIAEJ-NGOIVVIXSA-N
MW2721.63 g/mol
LogP26.99
Rot. Bonds61

About (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one

(2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one (PubChem CID 157345709) has the molecular formula C163H218N16O20 and a molecular weight of 2721.63 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
PubChem CID157345709
Molecular FormulaC163H218N16O20
Molecular Weight2721.63 g/mol
Exact Mass2719.65
IUPAC Name(2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)[C@@H](c1ccccc1OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CCOc1ccccc1C(C(C)=O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1C(C(C)=O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1cccc2c1OCC2)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1cccc2c1OCC2)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/2C29H40N2O3.C27H37N3O3.2C26H33N3O4.C26H35N3O3/c2*1-21(2)34-28-14-7-5-12-26(28)29(22(3)32)31-18-17-25(20-31)33-19-9-8-11-24-16-15-23-10-4-6-13-27(23)30-24;1-3-32-25-12-5-4-11-24(25)26(20(2)31)30-17-15-23(19-30)33-18-7-6-10-22-14-13-21-9-8-16-28-27(21)29-22;2*30-26(31)23(22-8-3-5-18-12-16-33-24(18)22)29-14-11-21(17-29)32-15-2-1-7-20-10-9-19-6-4-13-27-25(19)28-20;1-19(30)25(23-10-3-4-11-24(23)31-2)29-16-14-22(18-29)32-17-6-5-9-21-13-12-20-8-7-15-27-26(20)28-21/h2*5,7,12,14-16,21,25,29H,4,6,8-11,13,17-20H2,1-3H3;4-5,11-14,23,26H,3,6-10,15-19H2,1-2H3,(H,28,29);2*3,5,8-10,21,23H,1-2,4,6-7,11-17H2,(H,27,28)(H,30,31);3-4,10-13,22,25H,5-9,14-18H2,1-2H3,(H,27,28)/t25-,29+;25-,29-;23-,26?;21-,23+;21-,23-;22-,25?/m111111/s1
InChIKeyBGYCJUOPNRIAEJ-NGOIVVIXSA-N
XLogP26.99
TPSA398.54 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds61
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002721.63
LogP ≤ 526.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?
The IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one (CID 157345709) is (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one is CC(=O)[C@@H](c1ccccc1OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CCOc1ccccc1C(C(C)=O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1C(C(C)=O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1cccc2c1OCC2)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1cccc2c1OCC2)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?
The InChIKey is BGYCJUOPNRIAEJ-NGOIVVIXSA-N. The full InChI is InChI=1S/2C29H40N2O3.C27H37N3O3.2C26H33N3O4.C26H35N3O3/c2*1-21(2)34-28-14-7-5-12-26(28)29(22(3)32)31-18-17-25(20-31)33-19-9-8-11-24-16-15-23-10-4-6-13-27(23)30-24;1-3-32-25-12-5-4-11-24(25)26(20(2)31)30-17-15-23(19-30)33-18-7-6-10-22-14-13-21-9-8-16-28-27(21)29-22;2*30-26(31)23(22-8-3-5-18-12-16-33-24(18)22)29-14-11-21(17-29)32-15-2-1-7-20-10-9-19-6-4-13-27-25(19)28-20;1-19(30)25(23-10-3-4-11-24(23)31-2)29-16-14-22(18-29)32-17-6-5-9-21-13-12-20-8-7-15-27-26(20)28-21/h2*5,7,12,14-16,21,25,29H,4,6,8-11,13,17-20H2,1-3H3;4-5,11-14,23,26H,3,6-10,15-19H2,1-2H3,(H,28,29);2*3,5,8-10,21,23H,1-2,4,6-7,11-17H2,(H,27,28)(H,30,31);3-4,10-13,22,25H,5-9,14-18H2,1-2H3,(H,27,28)/t25-,29+;25-,29-;23-,26?;21-,23+;21-,23-;22-,25?/m111111/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?
(2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one has a molecular weight of 2721.63 g/mol, XLogP of 26.99, 61 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-(2-ethoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-(2-methoxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-propan-2-yloxyphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 157345709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).