3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde

C20H20ClN3O2 — CID 90438097

IUPAC3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCc1c(Cl)ccc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C20H20ClN3O2/c1-13(2)24-18(8-10-23-24)20-15(5-4-9-22-20)12-26-19-7-6-17(21)14(3)16(19)11-25/h4-11,13H,12H2,1-3H3
InChIKeyGMJMNNIVAGGBIV-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.88
Rot. Bonds6

About 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde

3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde (PubChem CID 90438097) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
PubChem CID90438097
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCc1c(Cl)ccc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C20H20ClN3O2/c1-13(2)24-18(8-10-23-24)20-15(5-4-9-22-20)12-26-19-7-6-17(21)14(3)16(19)11-25/h4-11,13H,12H2,1-3H3
InChIKeyGMJMNNIVAGGBIV-UHFFFAOYSA-N
XLogP4.88
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

Voxelotor
CID 71602803
2-Fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 71621777
2-[[2-(2-Propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 129115739
2-Fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridin-3-yl]methoxy]benzaldehyde
CID 71621778
2-Fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-3-yl]methoxy]benzaldehyde
CID 71621912
4-Fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one
CID 129254368
Methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate
CID 171559498
5-Methoxy-2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 71621775
3-Chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 85471435
4-(4-chloro-3-ethylphenoxy)-3-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)benzaldehyde
CID 86683818
5-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-2-methoxybenzaldehyde
CID 86690722
3-Chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90426068

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde (CID 90438097) is 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde is Cc1c(Cl)ccc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O.
What is the InChIKey of 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The InChIKey is GMJMNNIVAGGBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13(2)24-18(8-10-23-24)20-15(5-4-9-22-20)12-26-19-7-6-17(21)14(3)16(19)11-25/h4-11,13H,12H2,1-3H3.
What are the key properties of 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde has a molecular weight of 369.85 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 90438097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).