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

C26H21F4N3O2 — CID 24961290

IUPAC1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
SMILESCC(O)Cn1cc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C26H21F4N3O2/c1-16(34)14-32-15-22(21-4-2-3-5-24(21)32)25(35,26(28,29)30)18-6-11-23-17(12-18)13-31-33(23)20-9-7-19(27)8-10-20/h2-13,15-16,34-35H,14H2,1H3/t16?,25-/m1/s1
InChIKeyVVQRKNMUBKHCAY-ZRSRXRGLSA-N
MW483.47 g/mol
LogP5.30
Rot. Bonds5

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

1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol (PubChem CID 24961290) has the molecular formula C26H21F4N3O2 and a molecular weight of 483.47 g/mol. Its IUPAC name is 1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
PubChem CID24961290
Molecular FormulaC26H21F4N3O2
Molecular Weight483.47 g/mol
Exact Mass483.16
IUPAC Name1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
SMILESCC(O)Cn1cc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C26H21F4N3O2/c1-16(34)14-32-15-22(21-4-2-3-5-24(21)32)25(35,26(28,29)30)18-6-11-23-17(12-18)13-31-33(23)20-9-7-19(27)8-10-20/h2-13,15-16,34-35H,14H2,1H3/t16?,25-/m1/s1
InChIKeyVVQRKNMUBKHCAY-ZRSRXRGLSA-N
XLogP5.30
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol?
The IUPAC name of 1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol (CID 24961290) is 1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol is CC(O)Cn1cc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol?
The InChIKey is VVQRKNMUBKHCAY-ZRSRXRGLSA-N. The full InChI is InChI=1S/C26H21F4N3O2/c1-16(34)14-32-15-22(21-4-2-3-5-24(21)32)25(35,26(28,29)30)18-6-11-23-17(12-18)13-31-33(23)20-9-7-19(27)8-10-20/h2-13,15-16,34-35H,14H2,1H3/t16?,25-/m1/s1.
What are the key properties of 1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol?
1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol has a molecular weight of 483.47 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol is sourced from PubChem (CID 24961290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).