(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine

C25H25F2N3O — CID 66812773

IUPAC(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(F)c1
InChIInChI=1S/C25H25F2N3O/c1-16(2)12-23(28)25(17-4-3-5-20(27)13-17)31-22-10-11-24-18(14-22)15-29-30(24)21-8-6-19(26)7-9-21/h3-11,13-16,23,25H,12,28H2,1-2H3/t23-,25?/m0/s1
InChIKeyGFEABVLYRZUQNO-LFQPHHBNSA-N
MW421.49 g/mol
LogP5.80
Rot. Bonds7

About (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine

(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine (PubChem CID 66812773) has the molecular formula C25H25F2N3O and a molecular weight of 421.49 g/mol. Its IUPAC name is (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine
PubChem CID66812773
Molecular FormulaC25H25F2N3O
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC Name(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(F)c1
InChIInChI=1S/C25H25F2N3O/c1-16(2)12-23(28)25(17-4-3-5-20(27)13-17)31-22-10-11-24-18(14-22)15-29-30(24)21-8-6-19(26)7-9-21/h3-11,13-16,23,25H,12,28H2,1-2H3/t23-,25?/m0/s1
InChIKeyGFEABVLYRZUQNO-LFQPHHBNSA-N
XLogP5.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine (CID 66812773) is (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine is CC(C)C[C@H](N)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(F)c1.
What is the InChIKey of (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine?
The InChIKey is GFEABVLYRZUQNO-LFQPHHBNSA-N. The full InChI is InChI=1S/C25H25F2N3O/c1-16(2)12-23(28)25(17-4-3-5-20(27)13-17)31-22-10-11-24-18(14-22)15-29-30(24)21-8-6-19(26)7-9-21/h3-11,13-16,23,25H,12,28H2,1-2H3/t23-,25?/m0/s1.
What are the key properties of (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine?
(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine has a molecular weight of 421.49 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine is sourced from PubChem (CID 66812773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).