2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole

C38H33FN4O3S — CID 153414604

IUPAC2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCc1cc(S(C)(=O)=O)cc(C)c1-c1cnn(-c2cc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)cc(C(C)C)c2)c1
InChIInChI=1S/C38H33FN4O3S/c1-23(2)26-16-29(42-22-27(21-41-42)38-24(3)14-32(15-25(38)4)47(5,44)45)19-31(17-26)46-30-10-11-34-33-8-6-7-9-35(33)43(36(34)20-30)37-18-28(39)12-13-40-37/h6-23H,1-5H3
InChIKeyMAUMKDBADRVKNB-UHFFFAOYSA-N
MW644.77 g/mol
LogP9.11
Rot. Bonds7

About 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole

2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (PubChem CID 153414604) has the molecular formula C38H33FN4O3S and a molecular weight of 644.77 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
PubChem CID153414604
Molecular FormulaC38H33FN4O3S
Molecular Weight644.77 g/mol
Exact Mass644.23
IUPAC Name2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCc1cc(S(C)(=O)=O)cc(C)c1-c1cnn(-c2cc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)cc(C(C)C)c2)c1
InChIInChI=1S/C38H33FN4O3S/c1-23(2)26-16-29(42-22-27(21-41-42)38-24(3)14-32(15-25(38)4)47(5,44)45)19-31(17-26)46-30-10-11-34-33-8-6-7-9-35(33)43(36(34)20-30)37-18-28(39)12-13-40-37/h6-23H,1-5H3
InChIKeyMAUMKDBADRVKNB-UHFFFAOYSA-N
XLogP9.11
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.77
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole 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-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9-(4-fluoropyridin-2-yl)-9H-carbazole
CID 86343982
5-[5-Cyclopropyl-4-[2-[2-fluoro-2-(4-methylsulfonylphenyl)ethyl]indazol-4-yl]-1-methylimidazol-2-yl]-2-methyl-6-(trifluoromethoxy)indazole
CID 177771856
5-[5-cyclopropyl-4-[2-[(2R)-2-fluoro-2-(4-methylsulfonylphenyl)ethyl]indazol-4-yl]-1-methylimidazol-2-yl]-2-methyl-6-(trifluoromethoxy)indazole
CID 177771940
5-[5-cyclopropyl-4-[2-[(2S)-2-fluoro-2-(4-methylsulfonylphenyl)ethyl]indazol-4-yl]-1-methylimidazol-2-yl]-2-methyl-6-(trifluoromethoxy)indazole
CID 177772037
9-(4-Fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 86343413
2-[3-(4-Phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
CID 86343603
9-(4-Fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153412790
2-[3-[4-[2,6-Bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153412802
2-[3-[4-[2,6-Bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153412820
2-[3-[4-[2,6-Bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153412850
2-[3-[4-[4-(Fluoromethyl)-2,6-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153412854
2-[3-[4-(2,6-Dimethyl-4-phenoxyphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153412858

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (CID 153414604) is 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is Cc1cc(S(C)(=O)=O)cc(C)c1-c1cnn(-c2cc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)cc(C(C)C)c2)c1.
What is the InChIKey of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The InChIKey is MAUMKDBADRVKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33FN4O3S/c1-23(2)26-16-29(42-22-27(21-41-42)38-24(3)14-32(15-25(38)4)47(5,44)45)19-31(17-26)46-30-10-11-34-33-8-6-7-9-35(33)43(36(34)20-30)37-18-28(39)12-13-40-37/h6-23H,1-5H3.
What are the key properties of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole has a molecular weight of 644.77 g/mol, XLogP of 9.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is sourced from PubChem (CID 153414604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).