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

C36H29FN4O3 — CID 153412984

IUPAC2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCOc1c(C)cc(C)c(OC)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c1
InChIInChI=1S/C36H29FN4O3/c1-22-16-23(2)36(43-4)34(35(22)42-3)24-20-39-40(21-24)26-8-7-9-27(18-26)44-28-12-13-30-29-10-5-6-11-31(29)41(32(30)19-28)33-17-25(37)14-15-38-33/h5-21H,1-4H3
InChIKeyJBWZMSOVOKEXEQ-UHFFFAOYSA-N
MW584.65 g/mol
LogP8.60
Rot. Bonds7

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

2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (PubChem CID 153412984) has the molecular formula C36H29FN4O3 and a molecular weight of 584.65 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
PubChem CID153412984
Molecular FormulaC36H29FN4O3
Molecular Weight584.65 g/mol
Exact Mass584.22
IUPAC Name2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCOc1c(C)cc(C)c(OC)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c1
InChIInChI=1S/C36H29FN4O3/c1-22-16-23(2)36(43-4)34(35(22)42-3)24-20-39-40(21-24)26-8-7-9-27(18-26)44-28-12-13-30-29-10-5-6-11-31(29)41(32(30)19-28)33-17-25(37)14-15-38-33/h5-21H,1-4H3
InChIKeyJBWZMSOVOKEXEQ-UHFFFAOYSA-N
XLogP8.60
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.65
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-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-(1-Methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 155804414
US10457677, Example 14
CID 122589424
US10457677, Example 24
CID 122589434
US10457677, Example 16
CID 122589436
US10457677, Example 27
CID 122589447
US10457677, Example 11
CID 134325583
2-(1-Methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162653003
6-(2-Fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162659515
9-Ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole
CID 162661365
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (CID 153412984) is 2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is COc1c(C)cc(C)c(OC)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c1.
What is the InChIKey of 2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The InChIKey is JBWZMSOVOKEXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29FN4O3/c1-22-16-23(2)36(43-4)34(35(22)42-3)24-20-39-40(21-24)26-8-7-9-27(18-26)44-28-12-13-30-29-10-5-6-11-31(29)41(32(30)19-28)33-17-25(37)14-15-38-33/h5-21H,1-4H3.
What are the key properties of 2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
2-[3-[4-(2,6-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole has a molecular weight of 584.65 g/mol, XLogP of 8.60, 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-dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is sourced from PubChem (CID 153412984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).