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

C31H26N4O2 — CID 11670304

IUPAC(2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESN[C@H](COc1cnc(-c2ccccc2)c(-c2ccc3[nH]nc(-c4ccco4)c3c2)c1)Cc1ccccc1
InChIInChI=1S/C31H26N4O2/c32-24(16-21-8-3-1-4-9-21)20-37-25-18-26(30(33-19-25)22-10-5-2-6-11-22)23-13-14-28-27(17-23)31(35-34-28)29-12-7-15-36-29/h1-15,17-19,24H,16,20,32H2,(H,34,35)/t24-/m0/s1
InChIKeyMXFSOSUCFBFDIF-DEOSSOPVSA-N
MW486.58 g/mol
LogP6.50
Rot. Bonds8

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

(2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine (PubChem CID 11670304) has the molecular formula C31H26N4O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is (2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine
PubChem CID11670304
Molecular FormulaC31H26N4O2
Molecular Weight486.58 g/mol
Exact Mass486.21
IUPAC Name(2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESN[C@H](COc1cnc(-c2ccccc2)c(-c2ccc3[nH]nc(-c4ccco4)c3c2)c1)Cc1ccccc1
InChIInChI=1S/C31H26N4O2/c32-24(16-21-8-3-1-4-9-21)20-37-25-18-26(30(33-19-25)22-10-5-2-6-11-22)23-13-14-28-27(17-23)31(35-34-28)29-12-7-15-36-29/h1-15,17-19,24H,16,20,32H2,(H,34,35)/t24-/m0/s1
InChIKeyMXFSOSUCFBFDIF-DEOSSOPVSA-N
XLogP6.50
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine (CID 11670304) is (2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine is N[C@H](COc1cnc(-c2ccccc2)c(-c2ccc3[nH]nc(-c4ccco4)c3c2)c1)Cc1ccccc1.
What is the InChIKey of (2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The InChIKey is MXFSOSUCFBFDIF-DEOSSOPVSA-N. The full InChI is InChI=1S/C31H26N4O2/c32-24(16-21-8-3-1-4-9-21)20-37-25-18-26(30(33-19-25)22-10-5-2-6-11-22)23-13-14-28-27(17-23)31(35-34-28)29-12-7-15-36-29/h1-15,17-19,24H,16,20,32H2,(H,34,35)/t24-/m0/s1.
What are the key properties of (2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
(2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine has a molecular weight of 486.58 g/mol, XLogP of 6.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-[3-(furan-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 11670304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).