2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline

C22H20Cl2FN3O2 — CID 138458036

IUPAC2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline
SMILESCNc1ccc(F)cc1-c1n[nH]c2c1CCC(c1c(Cl)c(OC)cc(OC)c1Cl)=C2
InChIInChI=1S/C22H20Cl2FN3O2/c1-26-15-7-5-12(25)9-14(15)22-13-6-4-11(8-16(13)27-28-22)19-20(23)17(29-2)10-18(30-3)21(19)24/h5,7-10,26H,4,6H2,1-3H3,(H,27,28)
InChIKeyUAVXXWMJRFOQGV-UHFFFAOYSA-N
MW448.33 g/mol
LogP6.07
Rot. Bonds5

About 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline

2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline (PubChem CID 138458036) has the molecular formula C22H20Cl2FN3O2 and a molecular weight of 448.33 g/mol. Its IUPAC name is 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline
PubChem CID138458036
Molecular FormulaC22H20Cl2FN3O2
Molecular Weight448.33 g/mol
Exact Mass447.09
IUPAC Name2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline
SMILESCNc1ccc(F)cc1-c1n[nH]c2c1CCC(c1c(Cl)c(OC)cc(OC)c1Cl)=C2
InChIInChI=1S/C22H20Cl2FN3O2/c1-26-15-7-5-12(25)9-14(15)22-13-6-4-11(8-16(13)27-28-22)19-20(23)17(29-2)10-18(30-3)21(19)24/h5,7-10,26H,4,6H2,1-3H3,(H,27,28)
InChIKeyUAVXXWMJRFOQGV-UHFFFAOYSA-N
XLogP6.07
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.33
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline 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 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline?
The IUPAC name of 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline (CID 138458036) is 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline.
What is the SMILES notation for 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline?
The canonical SMILES for 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline is CNc1ccc(F)cc1-c1n[nH]c2c1CCC(c1c(Cl)c(OC)cc(OC)c1Cl)=C2.
What is the InChIKey of 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline?
The InChIKey is UAVXXWMJRFOQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN3O2/c1-26-15-7-5-12(25)9-14(15)22-13-6-4-11(8-16(13)27-28-22)19-20(23)17(29-2)10-18(30-3)21(19)24/h5,7-10,26H,4,6H2,1-3H3,(H,27,28).
What are the key properties of 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline?
2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline has a molecular weight of 448.33 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 138458036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).