3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid

C28H38N4O3 — CID 167089166

IUPAC3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2cnn(CC34CC5(C)CC6(C)CC(OCCN(C)C)(C3)C56C4)c2C)c(C(=O)O)n1
InChIInChI=1S/C28H38N4O3/c1-18-7-8-20(22(30-18)23(33)34)21-11-29-32(19(21)2)17-26-13-24(3)12-25(4)14-27(15-26,28(24,25)16-26)35-10-9-31(5)6/h7-8,11H,9-10,12-17H2,1-6H3,(H,33,34)
InChIKeyWGUHAYASILETIT-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.57
Rot. Bonds8

About 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid

3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid (PubChem CID 167089166) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid
PubChem CID167089166
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2cnn(CC34CC5(C)CC6(C)CC(OCCN(C)C)(C3)C56C4)c2C)c(C(=O)O)n1
InChIInChI=1S/C28H38N4O3/c1-18-7-8-20(22(30-18)23(33)34)21-11-29-32(19(21)2)17-26-13-24(3)12-25(4)14-27(15-26,28(24,25)16-26)35-10-9-31(5)6/h7-8,11H,9-10,12-17H2,1-6H3,(H,33,34)
InChIKeyWGUHAYASILETIT-UHFFFAOYSA-N
XLogP4.57
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid (CID 167089166) is 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid is Cc1ccc(-c2cnn(CC34CC5(C)CC6(C)CC(OCCN(C)C)(C3)C56C4)c2C)c(C(=O)O)n1.
What is the InChIKey of 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid?
The InChIKey is WGUHAYASILETIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-18-7-8-20(22(30-18)23(33)34)21-11-29-32(19(21)2)17-26-13-24(3)12-25(4)14-27(15-26,28(24,25)16-26)35-10-9-31(5)6/h7-8,11H,9-10,12-17H2,1-6H3,(H,33,34).
What are the key properties of 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid?
3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid has a molecular weight of 478.64 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-[2-(dimethylamino)ethoxy]-5,7-dimethyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methyl]-5-methylpyrazol-4-yl]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 167089166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).