(2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C28H24FN5O2 — CID 46226076

IUPAC(2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5c(F)cccc45)cnc3-c3ccoc3)cc12
InChIInChI=1S/C28H24FN5O2/c1-16-23-10-17(5-6-26(23)34-33-16)24-11-21(13-32-27(24)18-7-8-35-14-18)36-15-20(30)9-19-12-31-28-22(19)3-2-4-25(28)29/h2-8,10-14,20,31H,9,15,30H2,1H3,(H,33,34)/t20-/m0/s1
InChIKeyQSOVJRDSOIJUES-FQEVSTJZSA-N
MW481.53 g/mol
LogP5.76
Rot. Bonds7

About (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 46226076) has the molecular formula C28H24FN5O2 and a molecular weight of 481.53 g/mol. Its IUPAC name is (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID46226076
Molecular FormulaC28H24FN5O2
Molecular Weight481.53 g/mol
Exact Mass481.19
IUPAC Name(2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5c(F)cccc45)cnc3-c3ccoc3)cc12
InChIInChI=1S/C28H24FN5O2/c1-16-23-10-17(5-6-26(23)34-33-16)24-11-21(13-32-27(24)18-7-8-35-14-18)36-15-20(30)9-19-12-31-28-22(19)3-2-4-25(28)29/h2-8,10-14,20,31H,9,15,30H2,1H3,(H,33,34)/t20-/m0/s1
InChIKeyQSOVJRDSOIJUES-FQEVSTJZSA-N
XLogP5.76
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 46226076) is (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5c(F)cccc45)cnc3-c3ccoc3)cc12.
What is the InChIKey of (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is QSOVJRDSOIJUES-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H24FN5O2/c1-16-23-10-17(5-6-26(23)34-33-16)24-11-21(13-32-27(24)18-7-8-35-14-18)36-15-20(30)9-19-12-31-28-22(19)3-2-4-25(28)29/h2-8,10-14,20,31H,9,15,30H2,1H3,(H,33,34)/t20-/m0/s1.
What are the key properties of (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 481.53 g/mol, XLogP of 5.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 46226076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).