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

C160H214F4N18O20 — CID 159880357

IUPAC(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one
SMILESCCOc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.CCOc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.COc1cc(C(C)(F)F)ccc1[C@@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1cc(C(C)(F)F)ccc1[C@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1[C@@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1[C@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/2C27H35F2N3O4.2C27H37N3O2.2C26H35N3O4/c2*1-27(28,29)19-9-11-22(23(16-19)35-2)24(26(33)34)32-14-12-21(17-32)36-15-4-3-7-20-10-8-18-6-5-13-30-25(18)31-20;2*1-20(31)26(24-12-6-7-13-25(24)32-2)30-18-16-21(19-30)9-4-3-5-11-23-15-14-22-10-8-17-28-27(22)29-23;2*1-2-32-22-12-9-19(10-13-22)24(26(30)31)29-16-14-23(18-29)33-17-4-3-7-21-11-8-20-6-5-15-27-25(20)28-21/h2*8-11,16,21,24H,3-7,12-15,17H2,1-2H3,(H,30,31)(H,33,34);2*6-7,12-15,21,26H,3-5,8-11,16-19H2,1-2H3,(H,28,29);2*8-13,23-24H,2-7,14-18H2,1H3,(H,27,28)(H,30,31)/t21-,24+;21-,24-;21-,26+;21-,26-;23-,24+;23-,24-/m111111/s1
InChIKeyNTLGGYLBZBEPLP-WUAZOBEMSA-N
MW2785.57 g/mol
LogP28.16
Rot. Bonds64

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

(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one (PubChem CID 159880357) has the molecular formula C160H214F4N18O20 and a molecular weight of 2785.57 g/mol. Its IUPAC name is (2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one
PubChem CID159880357
Molecular FormulaC160H214F4N18O20
Molecular Weight2785.57 g/mol
Exact Mass2783.62
IUPAC Name(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one
SMILESCCOc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.CCOc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.COc1cc(C(C)(F)F)ccc1[C@@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1cc(C(C)(F)F)ccc1[C@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1[C@@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1[C@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/2C27H35F2N3O4.2C27H37N3O2.2C26H35N3O4/c2*1-27(28,29)19-9-11-22(23(16-19)35-2)24(26(33)34)32-14-12-21(17-32)36-15-4-3-7-20-10-8-18-6-5-13-30-25(18)31-20;2*1-20(31)26(24-12-6-7-13-25(24)32-2)30-18-16-21(19-30)9-4-3-5-11-23-15-14-22-10-8-17-28-27(22)29-23;2*1-2-32-22-12-9-19(10-13-22)24(26(30)31)29-16-14-23(18-29)33-17-4-3-7-21-11-8-20-6-5-15-27-25(20)28-21/h2*8-11,16,21,24H,3-7,12-15,17H2,1-2H3,(H,30,31)(H,33,34);2*6-7,12-15,21,26H,3-5,8-11,16-19H2,1-2H3,(H,28,29);2*8-13,23-24H,2-7,14-18H2,1H3,(H,27,28)(H,30,31)/t21-,24+;21-,24-;21-,26+;21-,26-;23-,24+;23-,24-/m111111/s1
InChIKeyNTLGGYLBZBEPLP-WUAZOBEMSA-N
XLogP28.16
TPSA444.60 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds64
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002785.57
LogP ≤ 528.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]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-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one?
The IUPAC name of (2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one (CID 159880357) is (2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for (2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for (2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one is CCOc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.CCOc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.COc1cc(C(C)(F)F)ccc1[C@@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1cc(C(C)(F)F)ccc1[C@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1[C@@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1[C@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of (2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one?
The InChIKey is NTLGGYLBZBEPLP-WUAZOBEMSA-N. The full InChI is InChI=1S/2C27H35F2N3O4.2C27H37N3O2.2C26H35N3O4/c2*1-27(28,29)19-9-11-22(23(16-19)35-2)24(26(33)34)32-14-12-21(17-32)36-15-4-3-7-20-10-8-18-6-5-13-30-25(18)31-20;2*1-20(31)26(24-12-6-7-13-25(24)32-2)30-18-16-21(19-30)9-4-3-5-11-23-15-14-22-10-8-17-28-27(22)29-23;2*1-2-32-22-12-9-19(10-13-22)24(26(30)31)29-16-14-23(18-29)33-17-4-3-7-21-11-8-20-6-5-15-27-25(20)28-21/h2*8-11,16,21,24H,3-7,12-15,17H2,1-2H3,(H,30,31)(H,33,34);2*6-7,12-15,21,26H,3-5,8-11,16-19H2,1-2H3,(H,28,29);2*8-13,23-24H,2-7,14-18H2,1H3,(H,27,28)(H,30,31)/t21-,24+;21-,24-;21-,26+;21-,26-;23-,24+;23-,24-/m111111/s1.
What are the key properties of (2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one?
(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one has a molecular weight of 2785.57 g/mol, XLogP of 28.16, 64 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 159880357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).