(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine

C26H23FN4O2 — CID 11561298

IUPAC(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1[nH]nc2cc(F)c(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccoc3)cc12
InChIInChI=1S/C26H23FN4O2/c1-16-21-11-22(24(27)12-25(21)31-30-16)23-10-20(13-29-26(23)18-7-8-32-14-18)33-15-19(28)9-17-5-3-2-4-6-17/h2-8,10-14,19H,9,15,28H2,1H3,(H,30,31)/t19-/m0/s1
InChIKeyQRZGFWYMIXKLLF-IBGZPJMESA-N
MW442.49 g/mol
LogP5.28
Rot. Bonds7

About (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine

(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine (PubChem CID 11561298) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
PubChem CID11561298
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1[nH]nc2cc(F)c(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccoc3)cc12
InChIInChI=1S/C26H23FN4O2/c1-16-21-11-22(24(27)12-25(21)31-30-16)23-10-20(13-29-26(23)18-7-8-32-14-18)33-15-19(28)9-17-5-3-2-4-6-17/h2-8,10-14,19H,9,15,28H2,1H3,(H,30,31)/t19-/m0/s1
InChIKeyQRZGFWYMIXKLLF-IBGZPJMESA-N
XLogP5.28
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine (CID 11561298) is (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine is Cc1[nH]nc2cc(F)c(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccoc3)cc12.
What is the InChIKey of (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The InChIKey is QRZGFWYMIXKLLF-IBGZPJMESA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-16-21-11-22(24(27)12-25(21)31-30-16)23-10-20(13-29-26(23)18-7-8-32-14-18)33-15-19(28)9-17-5-3-2-4-6-17/h2-8,10-14,19H,9,15,28H2,1H3,(H,30,31)/t19-/m0/s1.
What are the key properties of (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine has a molecular weight of 442.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-3-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 11561298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).