4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole

C32H28F2N4 — CID 166076542

IUPAC4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole
SMILESCCc1ccc(-c2cccc3nn(CCc4ccc(-c5ccc(C)c6nn(C)cc56)cc4F)cc23)cc1F
InChIInChI=1S/C32H28F2N4/c1-4-21-9-11-23(16-29(21)33)25-6-5-7-31-27(25)19-38(35-31)15-14-22-10-12-24(17-30(22)34)26-13-8-20(2)32-28(26)18-37(3)36-32/h5-13,16-19H,4,14-15H2,1-3H3
InChIKeyNVIZMTSZXQAKRA-UHFFFAOYSA-N
MW506.60 g/mol
LogP7.65
Rot. Bonds6

About 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole

4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole (PubChem CID 166076542) has the molecular formula C32H28F2N4 and a molecular weight of 506.60 g/mol. Its IUPAC name is 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole.

Molecular Properties

Compound Name4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole
PubChem CID166076542
Molecular FormulaC32H28F2N4
Molecular Weight506.60 g/mol
Exact Mass506.23
IUPAC Name4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole
SMILESCCc1ccc(-c2cccc3nn(CCc4ccc(-c5ccc(C)c6nn(C)cc56)cc4F)cc23)cc1F
InChIInChI=1S/C32H28F2N4/c1-4-21-9-11-23(16-29(21)33)25-6-5-7-31-27(25)19-38(35-31)15-14-22-10-12-24(17-30(22)34)26-13-8-20(2)32-28(26)18-37(3)36-32/h5-13,16-19H,4,14-15H2,1-3H3
InChIKeyNVIZMTSZXQAKRA-UHFFFAOYSA-N
XLogP7.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile
CID 155817684
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735375
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-(1H-indazol-1-yl)propan-1-amine
CID 16188877
(NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 44587236
1-(4-Fluorophenyl)-5-[2-(trifluoromethyl)phenyl]indazole
CID 46830504
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole
CID 71508683
6-[[6-(1-Methylpyrazol-4-yl)indazol-1-yl]methyl]quinoline
CID 71739682
1-(4-Fluorophenyl)-4-(4-methyl-3-pyridinyl)indazole
CID 127031978
4-(4-Methyl-3-pyridinyl)-1-phenylindazole
CID 127033243

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole?
The IUPAC name of 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole (CID 166076542) is 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole.
What is the SMILES notation for 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole?
The canonical SMILES for 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole is CCc1ccc(-c2cccc3nn(CCc4ccc(-c5ccc(C)c6nn(C)cc56)cc4F)cc23)cc1F.
What is the InChIKey of 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole?
The InChIKey is NVIZMTSZXQAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4/c1-4-21-9-11-23(16-29(21)33)25-6-5-7-31-27(25)19-38(35-31)15-14-22-10-12-24(17-30(22)34)26-13-8-20(2)32-28(26)18-37(3)36-32/h5-13,16-19H,4,14-15H2,1-3H3.
What are the key properties of 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole?
4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole has a molecular weight of 506.60 g/mol, XLogP of 7.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(4-ethyl-3-fluorophenyl)indazol-2-yl]ethyl]-3-fluorophenyl]-2,7-dimethylindazole is sourced from PubChem (CID 166076542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).