2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde

C20H24FN3O2 — CID 123427593

IUPAC2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1C1C2CNCCC21COc1cccc(F)c1C=O
InChIInChI=1S/C20H24FN3O2/c1-13(2)24-17(6-8-23-24)19-15-10-22-9-7-20(15,19)12-26-18-5-3-4-16(21)14(18)11-25/h3-6,8,11,13,15,19,22H,7,9-10,12H2,1-2H3
InChIKeyKIVWTRKMQIGFNI-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.19
Rot. Bonds6

About 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde

2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde (PubChem CID 123427593) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde
PubChem CID123427593
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1C1C2CNCCC21COc1cccc(F)c1C=O
InChIInChI=1S/C20H24FN3O2/c1-13(2)24-17(6-8-23-24)19-15-10-22-9-7-20(15,19)12-26-18-5-3-4-16(21)14(18)11-25/h3-6,8,11,13,15,19,22H,7,9-10,12H2,1-2H3
InChIKeyKIVWTRKMQIGFNI-UHFFFAOYSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]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

2-Fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 71621777
1'-[(2-Methylpyrazol-3-yl)methyl]spiro[2,4-dihydro-1,4-benzoxazepine-3,3'-piperidine]-5-one
CID 134792149
2-({1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-3-piperidyl}methoxy)-N-isopropylbenzamide
CID 91903850
2-Fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde
CID 86273139
2-Fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde
CID 86273142
2-Fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde
CID 86273385
2-[[2-(2-Ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273387
2-Fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde
CID 86273389
2-[[2-[2-(2,2-Difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273391
2-[[2-(2-Cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273620
2-[[2-(2-Cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273621
2-Fluoro-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde
CID 86273622

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde (CID 123427593) is 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde is CC(C)n1nccc1C1C2CNCCC21COc1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde?
The InChIKey is KIVWTRKMQIGFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13(2)24-17(6-8-23-24)19-15-10-22-9-7-20(15,19)12-26-18-5-3-4-16(21)14(18)11-25/h3-6,8,11,13,15,19,22H,7,9-10,12H2,1-2H3.
What are the key properties of 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde?
2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde has a molecular weight of 357.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde is sourced from PubChem (CID 123427593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).