2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole

C36H29FN4O3 — CID 153413497

IUPAC2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCOc1cc(C)cc(OC)c1-c1cnn(-c2cc(F)cc(Oc3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c1
InChIInChI=1S/C36H29FN4O3/c1-22-11-12-38-35(15-22)41-31-8-6-5-7-29(31)30-10-9-27(19-32(30)41)44-28-17-25(37)16-26(18-28)40-21-24(20-39-40)36-33(42-3)13-23(2)14-34(36)43-4/h5-21H,1-4H3
InChIKeyYHLDZAPSTLETRB-UHFFFAOYSA-N
MW584.65 g/mol
LogP8.60
Rot. Bonds7

About 2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole

2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole (PubChem CID 153413497) has the molecular formula C36H29FN4O3 and a molecular weight of 584.65 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
PubChem CID153413497
Molecular FormulaC36H29FN4O3
Molecular Weight584.65 g/mol
Exact Mass584.22
IUPAC Name2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCOc1cc(C)cc(OC)c1-c1cnn(-c2cc(F)cc(Oc3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c1
InChIInChI=1S/C36H29FN4O3/c1-22-11-12-38-35(15-22)41-31-8-6-5-7-29(31)30-10-9-27(19-32(30)41)44-28-17-25(37)16-26(18-28)40-21-24(20-39-40)36-33(42-3)13-23(2)14-34(36)43-4/h5-21H,1-4H3
InChIKeyYHLDZAPSTLETRB-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-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole with MolForge

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Related Compounds

2-(1-Methylindol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162647138
[3-[7-(3,4,5-Trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol
CID 162649578
2-(1-Methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162653003
9-Ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole
CID 162661365
2-(1-Methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162664833
1-benzyl-2-(1-methylpyrazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
CID 71728637
US10954240, Example 42
CID 118930246
US10954240, Example 43
CID 118930247
US10954240, Example 37
CID 118930227
US12011444, Example 309
CID 135333257
US12011444, Example 83
CID 135333474
US12011444, Example 308
CID 156760060

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole (CID 153413497) is 2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole is COc1cc(C)cc(OC)c1-c1cnn(-c2cc(F)cc(Oc3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c1.
What is the InChIKey of 2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The InChIKey is YHLDZAPSTLETRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29FN4O3/c1-22-11-12-38-35(15-22)41-31-8-6-5-7-29(31)30-10-9-27(19-32(30)41)44-28-17-25(37)16-26(18-28)40-21-24(20-39-40)36-33(42-3)13-23(2)14-34(36)43-4/h5-21H,1-4H3.
What are the key properties of 2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
2-[3-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-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-4-methylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 153413497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).