4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid

C19H18Cl2N2O3 — CID 170100979

IUPAC4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1(CCC(Oc3ncc(Cl)cc3Cl)CC1)CN2
InChIInChI=1S/C19H18Cl2N2O3/c20-12-8-15(21)17(22-9-12)26-13-3-5-19(6-4-13)10-23-16-2-1-11(18(24)25)7-14(16)19/h1-2,7-9,13,23H,3-6,10H2,(H,24,25)
InChIKeyPZDGAAGLJWKMLU-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.77
Rot. Bonds3

About 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid

4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid (PubChem CID 170100979) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid.

Molecular Properties

Compound Name4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid
PubChem CID170100979
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1(CCC(Oc3ncc(Cl)cc3Cl)CC1)CN2
InChIInChI=1S/C19H18Cl2N2O3/c20-12-8-15(21)17(22-9-12)26-13-3-5-19(6-4-13)10-23-16-2-1-11(18(24)25)7-14(16)19/h1-2,7-9,13,23H,3-6,10H2,(H,24,25)
InChIKeyPZDGAAGLJWKMLU-UHFFFAOYSA-N
XLogP4.77
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid?
The IUPAC name of 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid (CID 170100979) is 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid.
What is the SMILES notation for 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid?
The canonical SMILES for 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid is O=C(O)c1ccc2c(c1)C1(CCC(Oc3ncc(Cl)cc3Cl)CC1)CN2.
What is the InChIKey of 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid?
The InChIKey is PZDGAAGLJWKMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-12-8-15(21)17(22-9-12)26-13-3-5-19(6-4-13)10-23-16-2-1-11(18(24)25)7-14(16)19/h1-2,7-9,13,23H,3-6,10H2,(H,24,25).
What are the key properties of 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid?
4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid has a molecular weight of 393.27 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(3,5-dichloro-2-pyridinyl)oxy]spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid is sourced from PubChem (CID 170100979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).