3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide

C26H20F4N4O2 — CID 24957238

IUPAC3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C26H20F4N4O2/c27-18-6-8-19(9-7-18)34-22-10-5-17(13-16(22)14-32-34)25(36,26(28,29)30)21-15-33(12-11-24(31)35)23-4-2-1-3-20(21)23/h1-10,13-15,36H,11-12H2,(H2,31,35)
InChIKeyGPKVDGDVOWVJTG-UHFFFAOYSA-N
MW496.46 g/mol
LogP4.79
Rot. Bonds6

About 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide

3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide (PubChem CID 24957238) has the molecular formula C26H20F4N4O2 and a molecular weight of 496.46 g/mol. Its IUPAC name is 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide
PubChem CID24957238
Molecular FormulaC26H20F4N4O2
Molecular Weight496.46 g/mol
Exact Mass496.15
IUPAC Name3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C26H20F4N4O2/c27-18-6-8-19(9-7-18)34-22-10-5-17(13-16(22)14-32-34)25(36,26(28,29)30)21-15-33(12-11-24(31)35)23-4-2-1-3-20(21)23/h1-10,13-15,36H,11-12H2,(H2,31,35)
InChIKeyGPKVDGDVOWVJTG-UHFFFAOYSA-N
XLogP4.79
TPSA86.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide (CID 24957238) is 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide is NC(=O)CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide?
The InChIKey is GPKVDGDVOWVJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N4O2/c27-18-6-8-19(9-7-18)34-22-10-5-17(13-16(22)14-32-34)25(36,26(28,29)30)21-15-33(12-11-24(31)35)23-4-2-1-3-20(21)23/h1-10,13-15,36H,11-12H2,(H2,31,35).
What are the key properties of 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide?
3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide has a molecular weight of 496.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide is sourced from PubChem (CID 24957238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).