5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane

C96H112FN9O14 — CID 160924995

IUPAC5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane
SMILESC.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(C)c1-c1ncc(C)cc1F.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cn2)C3)cc(OCC)c1-c1ccc(C)cc1.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)nc2)C3)cc(OCC)c1-c1ccc(C)cc1
InChIInChI=1S/2C32H37N3O5.C31H34FN3O4.CH4/c1-4-39-26-16-23(17-27(40-5-2)30(26)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)28-11-10-25(19-33-28)31(37)38;1-4-39-27-16-23(17-28(40-5-2)30(27)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)25-10-11-26(31(37)38)33-19-25;1-4-39-26-15-22(14-21(3)28(26)29-25(32)13-20(2)17-33-29)18-34-11-9-31(10-12-34)16-27(36)35(19-31)24-7-5-23(6-8-24)30(37)38;/h2*6-11,16-17,19H,4-5,12-15,18,20-21H2,1-3H3,(H,37,38);5-8,13-15,17H,4,9-12,16,18-19H2,1-3H3,(H,37,38);1H4
InChIKeySSNGMZBROSIGMI-UHFFFAOYSA-N
MW1635.00 g/mol
LogP17.40
Rot. Bonds25

About 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane

5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane (PubChem CID 160924995) has the molecular formula C96H112FN9O14 and a molecular weight of 1635.00 g/mol. Its IUPAC name is 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane.

Molecular Properties

Compound Name5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane
PubChem CID160924995
Molecular FormulaC96H112FN9O14
Molecular Weight1635.00 g/mol
Exact Mass1633.83
IUPAC Name5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane
SMILESC.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(C)c1-c1ncc(C)cc1F.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cn2)C3)cc(OCC)c1-c1ccc(C)cc1.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)nc2)C3)cc(OCC)c1-c1ccc(C)cc1
InChIInChI=1S/2C32H37N3O5.C31H34FN3O4.CH4/c1-4-39-26-16-23(17-27(40-5-2)30(26)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)28-11-10-25(19-33-28)31(37)38;1-4-39-27-16-23(17-28(40-5-2)30(27)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)25-10-11-26(31(37)38)33-19-25;1-4-39-26-15-22(14-21(3)28(26)29-25(32)13-20(2)17-33-29)18-34-11-9-31(10-12-34)16-27(36)35(19-31)24-7-5-23(6-8-24)30(37)38;/h2*6-11,16-17,19H,4-5,12-15,18,20-21H2,1-3H3,(H,37,38);5-8,13-15,17H,4,9-12,16,18-19H2,1-3H3,(H,37,38);1H4
InChIKeySSNGMZBROSIGMI-UHFFFAOYSA-N
XLogP17.40
TPSA267.37 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001635.00
LogP ≤ 517.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane?
The IUPAC name of 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane (CID 160924995) is 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane.
What is the SMILES notation for 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane?
The canonical SMILES for 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane is C.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(C)c1-c1ncc(C)cc1F.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cn2)C3)cc(OCC)c1-c1ccc(C)cc1.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)nc2)C3)cc(OCC)c1-c1ccc(C)cc1.
What is the InChIKey of 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane?
The InChIKey is SSNGMZBROSIGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H37N3O5.C31H34FN3O4.CH4/c1-4-39-26-16-23(17-27(40-5-2)30(26)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)28-11-10-25(19-33-28)31(37)38;1-4-39-27-16-23(17-28(40-5-2)30(27)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)25-10-11-26(31(37)38)33-19-25;1-4-39-26-15-22(14-21(3)28(26)29-25(32)13-20(2)17-33-29)18-34-11-9-31(10-12-34)16-27(36)35(19-31)24-7-5-23(6-8-24)30(37)38;/h2*6-11,16-17,19H,4-5,12-15,18,20-21H2,1-3H3,(H,37,38);5-8,13-15,17H,4,9-12,16,18-19H2,1-3H3,(H,37,38);1H4.
What are the key properties of 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane?
5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane has a molecular weight of 1635.00 g/mol, XLogP of 17.40, 25 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid;methane is sourced from PubChem (CID 160924995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).