2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole

C36H29FN4O2 — CID 153413621

IUPAC2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCOc1cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)cc(-n2cc(-c3c(C)cc(F)cc3C)cn2)c1
InChIInChI=1S/C36H29FN4O2/c1-22-11-12-38-35(13-22)41-33-8-6-5-7-31(33)32-10-9-28(19-34(32)41)43-30-17-27(16-29(18-30)42-4)40-21-25(20-39-40)36-23(2)14-26(37)15-24(36)3/h5-21H,1-4H3
InChIKeyCRQGMXXEXWNJGS-UHFFFAOYSA-N
MW568.65 g/mol
LogP8.90
Rot. Bonds6

About 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole

2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole (PubChem CID 153413621) has the molecular formula C36H29FN4O2 and a molecular weight of 568.65 g/mol. Its IUPAC name is 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
PubChem CID153413621
Molecular FormulaC36H29FN4O2
Molecular Weight568.65 g/mol
Exact Mass568.23
IUPAC Name2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCOc1cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)cc(-n2cc(-c3c(C)cc(F)cc3C)cn2)c1
InChIInChI=1S/C36H29FN4O2/c1-22-11-12-38-35(13-22)41-33-8-6-5-7-31(33)32-10-9-28(19-34(32)41)43-30-17-27(16-29(18-30)42-4)40-21-25(20-39-40)36-23(2)14-26(37)15-24(36)3/h5-21H,1-4H3
InChIKeyCRQGMXXEXWNJGS-UHFFFAOYSA-N
XLogP8.90
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.65
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole with MolForge

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Related Compounds

2-(1-Methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 155804414
2-(1-Methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162653003
1-benzyl-2-(1-methylpyrazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
CID 71728637
3-[4-[3-Fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694536
1-Cyclopentyl-3-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694838
3-[4-[3-Fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72694839
3-[2-Fluoro-4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 90075680
US10954240, Example 42
CID 118930246
US10954240, Example 43
CID 118930247
US10954240, Example 37
CID 118930227
2-N-(3,5-dimethoxyphenyl)-5-fluoro-4-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine
CID 22060345
7-methoxy-4-(4-methoxy-benzyloxy)-8-methyl-2-(3-trifluoromethyl-1H-pyrazol-1-yl)-quinoline
CID 56605160

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole (CID 153413621) is 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole is COc1cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)cc(-n2cc(-c3c(C)cc(F)cc3C)cn2)c1.
What is the InChIKey of 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The InChIKey is CRQGMXXEXWNJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29FN4O2/c1-22-11-12-38-35(13-22)41-33-8-6-5-7-31(33)32-10-9-28(19-34(32)41)43-30-17-27(16-29(18-30)42-4)40-21-25(20-39-40)36-23(2)14-26(37)15-24(36)3/h5-21H,1-4H3.
What are the key properties of 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole has a molecular weight of 568.65 g/mol, XLogP of 8.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 153413621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).