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

C35H27FN4O3 — CID 153413324

IUPAC2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCOc1cccc(OC)c1-c1cnn(-c2cc(F)cc(Oc3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c1
InChIInChI=1S/C35H27FN4O3/c1-22-13-14-37-34(15-22)40-30-8-5-4-7-28(30)29-12-11-26(19-31(29)40)43-27-17-24(36)16-25(18-27)39-21-23(20-38-39)35-32(41-2)9-6-10-33(35)42-3/h4-21H,1-3H3
InChIKeyAQIOSXLZFASMEC-UHFFFAOYSA-N
MW570.62 g/mol
LogP8.29
Rot. Bonds7

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

2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole (PubChem CID 153413324) has the molecular formula C35H27FN4O3 and a molecular weight of 570.62 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
PubChem CID153413324
Molecular FormulaC35H27FN4O3
Molecular Weight570.62 g/mol
Exact Mass570.21
IUPAC Name2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCOc1cccc(OC)c1-c1cnn(-c2cc(F)cc(Oc3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c1
InChIInChI=1S/C35H27FN4O3/c1-22-13-14-37-34(15-22)40-30-8-5-4-7-28(30)29-12-11-26(19-31(29)40)43-27-17-24(36)16-25(18-27)39-21-23(20-38-39)35-32(41-2)9-6-10-33(35)42-3/h4-21H,1-3H3
InChIKeyAQIOSXLZFASMEC-UHFFFAOYSA-N
XLogP8.29
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.62
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-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

US10457677, Example 14
CID 122589424
US10457677, Example 24
CID 122589434
US10457677, Example 16
CID 122589436
[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
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
(3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 162661880
1-benzyl-2-(1-methylpyrazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
CID 71728637
1-(2-methoxy-4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
CID 57960875
US10266548, Example 2-53-1
CID 71554229
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole (CID 153413324) is 2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole is COc1cccc(OC)c1-c1cnn(-c2cc(F)cc(Oc3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c1.
What is the InChIKey of 2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The InChIKey is AQIOSXLZFASMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27FN4O3/c1-22-13-14-37-34(15-22)40-30-8-5-4-7-28(30)29-12-11-26(19-31(29)40)43-27-17-24(36)16-25(18-27)39-21-23(20-38-39)35-32(41-2)9-6-10-33(35)42-3/h4-21H,1-3H3.
What are the key properties of 2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole has a molecular weight of 570.62 g/mol, XLogP of 8.29, 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-dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 153413324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).