1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole

C24H17F4N3 — CID 143371983

IUPAC1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole
SMILESCc1ccc(-n2ncc3cc(C(c4c[nH]c5ccc(F)cc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H17F4N3/c1-14-2-6-18(7-3-14)31-22-9-4-15(10-16(22)12-30-31)23(24(26,27)28)20-13-29-21-8-5-17(25)11-19(20)21/h2-13,23,29H,1H3
InChIKeyPLMFGKRMAKIVJY-UHFFFAOYSA-N
MW423.41 g/mol
LogP6.65
Rot. Bonds3

About 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole

1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole (PubChem CID 143371983) has the molecular formula C24H17F4N3 and a molecular weight of 423.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole
PubChem CID143371983
Molecular FormulaC24H17F4N3
Molecular Weight423.41 g/mol
Exact Mass423.14
IUPAC Name1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole
SMILESCc1ccc(-n2ncc3cc(C(c4c[nH]c5ccc(F)cc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H17F4N3/c1-14-2-6-18(7-3-14)31-22-9-4-15(10-16(22)12-30-31)23(24(26,27)28)20-13-29-21-8-5-17(25)11-19(20)21/h2-13,23,29H,1H3
InChIKeyPLMFGKRMAKIVJY-UHFFFAOYSA-N
XLogP6.65
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.41
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole?
The IUPAC name of 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole (CID 143371983) is 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole?
The canonical SMILES for 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole is Cc1ccc(-n2ncc3cc(C(c4c[nH]c5ccc(F)cc45)C(F)(F)F)ccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole?
The InChIKey is PLMFGKRMAKIVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3/c1-14-2-6-18(7-3-14)31-22-9-4-15(10-16(22)12-30-31)23(24(26,27)28)20-13-29-21-8-5-17(25)11-19(20)21/h2-13,23,29H,1H3.
What are the key properties of 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole?
1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole has a molecular weight of 423.41 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole is sourced from PubChem (CID 143371983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).