1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole

C24H18FN5 — CID 123657217

IUPAC1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole
SMILESCc1ccc2c(cnn2-c2cccc3c2cnn3Cc2c(F)ccc3[nH]ccc23)c1
InChIInChI=1S/C24H18FN5/c1-15-5-8-22-16(11-15)12-28-30(22)24-4-2-3-23-18(24)13-27-29(23)14-19-17-9-10-26-21(17)7-6-20(19)25/h2-13,26H,14H2,1H3
InChIKeyOLYOQXVLEOFEJD-UHFFFAOYSA-N
MW395.44 g/mol
LogP5.35
Rot. Bonds3

About 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole

1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole (PubChem CID 123657217) has the molecular formula C24H18FN5 and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole.

Molecular Properties

Compound Name1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole
PubChem CID123657217
Molecular FormulaC24H18FN5
Molecular Weight395.44 g/mol
Exact Mass395.15
IUPAC Name1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole
SMILESCc1ccc2c(cnn2-c2cccc3c2cnn3Cc2c(F)ccc3[nH]ccc23)c1
InChIInChI=1S/C24H18FN5/c1-15-5-8-22-16(11-15)12-28-30(22)24-4-2-3-23-18(24)13-27-29(23)14-19-17-9-10-26-21(17)7-6-20(19)25/h2-13,26H,14H2,1H3
InChIKeyOLYOQXVLEOFEJD-UHFFFAOYSA-N
XLogP5.35
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
3-1H-indazol-4-yl-1-[(9-methyl-9H-carbazol-3-yl)methyl]urea
CID 16749565
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole
CID 164625965
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-Fluoro-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole
CID 9844821

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole?
The IUPAC name of 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole (CID 123657217) is 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole.
What is the SMILES notation for 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole?
The canonical SMILES for 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole is Cc1ccc2c(cnn2-c2cccc3c2cnn3Cc2c(F)ccc3[nH]ccc23)c1.
What is the InChIKey of 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole?
The InChIKey is OLYOQXVLEOFEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5/c1-15-5-8-22-16(11-15)12-28-30(22)24-4-2-3-23-18(24)13-27-29(23)14-19-17-9-10-26-21(17)7-6-20(19)25/h2-13,26H,14H2,1H3.
What are the key properties of 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole?
1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole has a molecular weight of 395.44 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole is sourced from PubChem (CID 123657217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).