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

C25H20FN5 — CID 129058332

IUPAC1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole
SMILESCc1ccc2c(cnn2Cc2cccc3c2cnn3Cc2c(F)ccc3[nH]ccc23)c1
InChIInChI=1S/C25H20FN5/c1-16-5-8-24-18(11-16)12-28-30(24)14-17-3-2-4-25-20(17)13-29-31(25)15-21-19-9-10-27-23(19)7-6-22(21)26/h2-13,27H,14-15H2,1H3
InChIKeyMFTPLQKVKFIIJC-UHFFFAOYSA-N
MW409.47 g/mol
LogP5.41
Rot. Bonds4

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

1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole (PubChem CID 129058332) has the molecular formula C25H20FN5 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole.

Molecular Properties

Compound Name1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole
PubChem CID129058332
Molecular FormulaC25H20FN5
Molecular Weight409.47 g/mol
Exact Mass409.17
IUPAC Name1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole
SMILESCc1ccc2c(cnn2Cc2cccc3c2cnn3Cc2c(F)ccc3[nH]ccc23)c1
InChIInChI=1S/C25H20FN5/c1-16-5-8-24-18(11-16)12-28-30(24)14-17-3-2-4-25-20(17)13-29-31(25)15-21-19-9-10-27-23(19)7-6-22(21)26/h2-13,27H,14-15H2,1H3
InChIKeyMFTPLQKVKFIIJC-UHFFFAOYSA-N
XLogP5.41
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole?
The IUPAC name of 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole (CID 129058332) is 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole.
What is the SMILES notation for 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole?
The canonical SMILES for 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole is Cc1ccc2c(cnn2Cc2cccc3c2cnn3Cc2c(F)ccc3[nH]ccc23)c1.
What is the InChIKey of 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole?
The InChIKey is MFTPLQKVKFIIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5/c1-16-5-8-24-18(11-16)12-28-30(24)14-17-3-2-4-25-20(17)13-29-31(25)15-21-19-9-10-27-23(19)7-6-22(21)26/h2-13,27H,14-15H2,1H3.
What are the key properties of 1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole?
1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole has a molecular weight of 409.47 g/mol, XLogP of 5.41, 4 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)methyl]indazole is sourced from PubChem (CID 129058332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).