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

C35H27FN4O3S — CID 153413316

IUPAC2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCc1cc(S(C)(=O)=O)cc(C)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c1
InChIInChI=1S/C35H27FN4O3S/c1-22-15-29(44(3,41)42)16-23(2)35(22)24-20-38-39(21-24)26-7-6-8-27(18-26)43-28-11-12-31-30-9-4-5-10-32(30)40(33(31)19-28)34-17-25(36)13-14-37-34/h4-21H,1-3H3
InChIKeyWPIPYSODGWXOKB-UHFFFAOYSA-N
MW602.69 g/mol
LogP7.98
Rot. Bonds6

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

2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (PubChem CID 153413316) has the molecular formula C35H27FN4O3S and a molecular weight of 602.69 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
PubChem CID153413316
Molecular FormulaC35H27FN4O3S
Molecular Weight602.69 g/mol
Exact Mass602.18
IUPAC Name2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCc1cc(S(C)(=O)=O)cc(C)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c1
InChIInChI=1S/C35H27FN4O3S/c1-22-15-29(44(3,41)42)16-23(2)35(22)24-20-38-39(21-24)26-7-6-8-27(18-26)43-28-11-12-31-30-9-4-5-10-32(30)40(33(31)19-28)34-17-25(36)13-14-37-34/h4-21H,1-3H3
InChIKeyWPIPYSODGWXOKB-UHFFFAOYSA-N
XLogP7.98
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9-(4-fluoropyridin-2-yl)-9H-carbazole
CID 86343982
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9-(4-(trifluoromethyl)pyridin-2-yl)-9H-carbazole
CID 86344155
2-[3-(3,5-Dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)pyridin-2-yl]carbazole;platinum
CID 162196540
3-[1-[2-(1,3-dihydroisoindol-2-yl)-6-fluoroquinolin-3-yl]oxyethyl]-N,N-bis[(4-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 177739359
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (CID 153413316) is 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is Cc1cc(S(C)(=O)=O)cc(C)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c1.
What is the InChIKey of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The InChIKey is WPIPYSODGWXOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27FN4O3S/c1-22-15-29(44(3,41)42)16-23(2)35(22)24-20-38-39(21-24)26-7-6-8-27(18-26)43-28-11-12-31-30-9-4-5-10-32(30)40(33(31)19-28)34-17-25(36)13-14-37-34/h4-21H,1-3H3.
What are the key properties of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole has a molecular weight of 602.69 g/mol, XLogP of 7.98, 6 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]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is sourced from PubChem (CID 153413316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).