5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde

C90H85F2N3O10 — CID 161365276

IUPAC5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESCc1c(COc2cc(O)c(C=O)c3c2CCC3)cccc1-c1ccccc1.Cc1c(COc2cc(OCc3cncc(F)c3)c(C=O)c3c2CCC3)cccc1-c1ccccc1.Cc1c(COc2cc(OCc3cncc(F)c3)c(CN3CCCC[C@H]3C(=O)O)c3c2CCC3)cccc1-c1ccccc1
InChIInChI=1S/C36H37FN2O4.C30H26FNO3.C24H22O3/c1-24-27(11-7-12-29(24)26-9-3-2-4-10-26)23-43-34-18-35(42-22-25-17-28(37)20-38-19-25)32(30-13-8-14-31(30)34)21-39-16-6-5-15-33(39)36(40)41;1-20-23(9-5-10-25(20)22-7-3-2-4-8-22)19-35-29-14-30(28(17-33)26-11-6-12-27(26)29)34-18-21-13-24(31)16-32-15-21;1-16-18(9-5-10-19(16)17-7-3-2-4-8-17)15-27-24-13-23(26)22(14-25)20-11-6-12-21(20)24/h2-4,7,9-12,17-20,33H,5-6,8,13-16,21-23H2,1H3,(H,40,41);2-5,7-10,13-17H,6,11-12,18-19H2,1H3;2-5,7-10,13-14,26H,6,11-12,15H2,1H3/t33-;;/m0../s1
InChIKeyVPSQHYXNAAFIAX-NYPSMHOZSA-N
MW1406.68 g/mol
LogP19.19
Rot. Bonds23

About 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde

5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde (PubChem CID 161365276) has the molecular formula C90H85F2N3O10 and a molecular weight of 1406.68 g/mol. Its IUPAC name is 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde.

Molecular Properties

Compound Name5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde
PubChem CID161365276
Molecular FormulaC90H85F2N3O10
Molecular Weight1406.68 g/mol
Exact Mass1405.62
IUPAC Name5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESCc1c(COc2cc(O)c(C=O)c3c2CCC3)cccc1-c1ccccc1.Cc1c(COc2cc(OCc3cncc(F)c3)c(C=O)c3c2CCC3)cccc1-c1ccccc1.Cc1c(COc2cc(OCc3cncc(F)c3)c(CN3CCCC[C@H]3C(=O)O)c3c2CCC3)cccc1-c1ccccc1
InChIInChI=1S/C36H37FN2O4.C30H26FNO3.C24H22O3/c1-24-27(11-7-12-29(24)26-9-3-2-4-10-26)23-43-34-18-35(42-22-25-17-28(37)20-38-19-25)32(30-13-8-14-31(30)34)21-39-16-6-5-15-33(39)36(40)41;1-20-23(9-5-10-25(20)22-7-3-2-4-8-22)19-35-29-14-30(28(17-33)26-11-6-12-27(26)29)34-18-21-13-24(31)16-32-15-21;1-16-18(9-5-10-19(16)17-7-3-2-4-8-17)15-27-24-13-23(26)22(14-25)20-11-6-12-21(20)24/h2-4,7,9-12,17-20,33H,5-6,8,13-16,21-23H2,1H3,(H,40,41);2-5,7-10,13-17H,6,11-12,18-19H2,1H3;2-5,7-10,13-14,26H,6,11-12,15H2,1H3/t33-;;/m0../s1
InChIKeyVPSQHYXNAAFIAX-NYPSMHOZSA-N
XLogP19.19
TPSA166.84 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001406.68
LogP ≤ 519.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde with MolForge

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Related Compounds

1-[[7-[(2-methyl-3-phenylphenyl)methoxy]-5-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid
CID 175600831
ethane;methanol;5-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-3-carbonitrile
CID 166086082
3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide
CID 139498352
(2S)-1-[[2-[[5-(2H-azirin-3-yl)-3-pyridinyl]methoxy]-4-[[3-[3-[[5-[[5-(2H-azirin-3-yl)-3-pyridinyl]methoxy]-2-chloro-4-(hydroxymethyl)phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chlorophenyl]methyl]piperidine-2-carboxylic acid
CID 167074026
5-[[5-[(3-cyanophenyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 139491397
5-[[7-[[3-(4-tert-butylphenyl)-2-methylphenyl]methoxy]-4-[[2-(hydroxymethyl)azetidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-3-carbonitrile
CID 166086031
[1-[[5-[(Z)-2-(ethylideneamino)but-2-enoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]azetidin-2-yl]methanol
CID 166086013
[1-[[5-[(Z)-2-(ethylideneamino)but-2-enoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]azetidin-2-yl]methanol;propane
CID 166086012
1-[[2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-5-methylphenyl]methyl]piperidine-2-carboxylic acid
CID 118434762
(2S)-1-[[2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-5-fluorophenyl]methyl]piperidine-2-carboxylic acid
CID 118441456
1-[(2S)-1-[[2-[(5-iodo-3-pyridinyl)methoxy]-5-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]piperidin-2-yl]ethanone
CID 170291077
(2S)-1-[[3-hydroxy-4-[[3-[3-[[2-hydroxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methyl]piperidine-2-carboxylic acid
CID 134313127

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde?
The IUPAC name of 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde (CID 161365276) is 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde.
What is the SMILES notation for 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde?
The canonical SMILES for 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde is Cc1c(COc2cc(O)c(C=O)c3c2CCC3)cccc1-c1ccccc1.Cc1c(COc2cc(OCc3cncc(F)c3)c(C=O)c3c2CCC3)cccc1-c1ccccc1.Cc1c(COc2cc(OCc3cncc(F)c3)c(CN3CCCC[C@H]3C(=O)O)c3c2CCC3)cccc1-c1ccccc1.
What is the InChIKey of 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde?
The InChIKey is VPSQHYXNAAFIAX-NYPSMHOZSA-N. The full InChI is InChI=1S/C36H37FN2O4.C30H26FNO3.C24H22O3/c1-24-27(11-7-12-29(24)26-9-3-2-4-10-26)23-43-34-18-35(42-22-25-17-28(37)20-38-19-25)32(30-13-8-14-31(30)34)21-39-16-6-5-15-33(39)36(40)41;1-20-23(9-5-10-25(20)22-7-3-2-4-8-22)19-35-29-14-30(28(17-33)26-11-6-12-27(26)29)34-18-21-13-24(31)16-32-15-21;1-16-18(9-5-10-19(16)17-7-3-2-4-8-17)15-27-24-13-23(26)22(14-25)20-11-6-12-21(20)24/h2-4,7,9-12,17-20,33H,5-6,8,13-16,21-23H2,1H3,(H,40,41);2-5,7-10,13-17H,6,11-12,18-19H2,1H3;2-5,7-10,13-14,26H,6,11-12,15H2,1H3/t33-;;/m0../s1.
What are the key properties of 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde?
5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde has a molecular weight of 1406.68 g/mol, XLogP of 19.19, 23 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde;(2S)-1-[[5-[(5-fluoro-3-pyridinyl)methoxy]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-4-yl]methyl]piperidine-2-carboxylic acid;5-hydroxy-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-4-carbaldehyde is sourced from PubChem (CID 161365276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).