2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C34H32FNO4 — CID 123215758

IUPAC2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCc1ccc(-c2cc(C)c(-c3ccc(F)c4c3CCC4COc3ccc4c(c3)OCC4CC(=O)O)c(C)c2)cn1
InChIInChI=1S/C34H32FNO4/c1-19-12-24(22-5-4-21(3)36-16-22)13-20(2)33(19)28-10-11-30(35)34-23(6-8-29(28)34)17-39-26-7-9-27-25(14-32(37)38)18-40-31(27)15-26/h4-5,7,9-13,15-16,23,25H,6,8,14,17-18H2,1-3H3,(H,37,38)
InChIKeyQORIYFVAZWRKDA-UHFFFAOYSA-N
MW537.63 g/mol
LogP7.54
Rot. Bonds7

About 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 123215758) has the molecular formula C34H32FNO4 and a molecular weight of 537.63 g/mol. Its IUPAC name is 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID123215758
Molecular FormulaC34H32FNO4
Molecular Weight537.63 g/mol
Exact Mass537.23
IUPAC Name2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCc1ccc(-c2cc(C)c(-c3ccc(F)c4c3CCC4COc3ccc4c(c3)OCC4CC(=O)O)c(C)c2)cn1
InChIInChI=1S/C34H32FNO4/c1-19-12-24(22-5-4-21(3)36-16-22)13-20(2)33(19)28-10-11-30(35)34-23(6-8-29(28)34)17-39-26-7-9-27-25(14-32(37)38)18-40-31(27)15-26/h4-5,7,9-13,15-16,23,25H,6,8,14,17-18H2,1-3H3,(H,37,38)
InChIKeyQORIYFVAZWRKDA-UHFFFAOYSA-N
XLogP7.54
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid with MolForge

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Related Compounds

4-{2-(2-Carboxy-ethyl)-3-[6-(3'-fluoro-5-pyridin-4-yl-biphenyl-3-yloxy)-hexyl]-phenoxy}-butyric acid
CID 25191879
2-[(1R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-1-methyl-2,3-dihydroinden-1-yl]acetic acid
CID 59590781
2-[(1R)-6-[[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-2,3-dihydroinden-1-yl]acetic acid
CID 59590895
{(S)-6-[(R)-7-fluoro-4-{2-[(S)-tetrahydro-furan-3-yloxy]-pyridin-4-yloxy}-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid
CID 76282611
((S)-6-{(R)-7-Fluoro-4-[4-(3-hydroxy-3-methylbutyl)-1H-indol-5-yloxy]-indan-1-ylox}-2,3-dihydrobenzofuran-3-yl)-acetic acid
CID 76282853
[(S)-6-{(R)-7-Fluoro-4-[5-(3-hydroxy-3-methyl-butoxy)-pyridin-2-yloxy]-indan-1-yloxy}-2,3-dihydro-benzofuran-3-yl]-acetic acid methyl ester
CID 86722093
[(S)-6-{(R)-7-Fluoro-4-[5-(4-hydroxy-4-methyl-pent-1-enyl)-pyridin-2-yloxy]-indan-1-yloxy}-2,3-dihydro-benzofuran-3-yl]-acetic acid methyl ester
CID 90199574
[(S)-6-{(R)-7-Fluoro-4-[5-(4-hydroxy-4-methyl-pentyl)-pyridin-2-yloxy]-indan-1-yloxy}-2,3-dihydro-benzofuran-3-yl]-acetic acid
CID 90199839
Ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate
CID 139561444
2-[2-[[4-[2-(Aminomethyl)-3-fluoro-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid
CID 139561549
2-[6-[(3-Pyrrol-1-ylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 127031409
2-(2-((4-(3-(aminomethyl)-2-fluorophenyl)-1-isopropyl-1H-indol-6-yl)methoxy)-4-methoxyphenyl)acetic Acid
CID 139561360

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 123215758) is 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is Cc1ccc(-c2cc(C)c(-c3ccc(F)c4c3CCC4COc3ccc4c(c3)OCC4CC(=O)O)c(C)c2)cn1.
What is the InChIKey of 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is QORIYFVAZWRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FNO4/c1-19-12-24(22-5-4-21(3)36-16-22)13-20(2)33(19)28-10-11-30(35)34-23(6-8-29(28)34)17-39-26-7-9-27-25(14-32(37)38)18-40-31(27)15-26/h4-5,7,9-13,15-16,23,25H,6,8,14,17-18H2,1-3H3,(H,37,38).
What are the key properties of 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 537.63 g/mol, XLogP of 7.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-[2,6-dimethyl-4-(6-methyl-3-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 123215758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).