(2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C29H25N5O — CID 10217131

IUPAC(2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C29H25N5O/c30-23(12-22-16-32-27-9-5-4-8-25(22)27)18-35-24-13-21(15-31-17-24)20-10-11-28-26(14-20)29(34-33-28)19-6-2-1-3-7-19/h1-11,13-17,23,32H,12,18,30H2,(H,33,34)/t23-/m0/s1
InChIKeyYFSJPNKAWKKQSL-QHCPKHFHSA-N
MW459.55 g/mol
LogP5.72
Rot. Bonds7

About (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 10217131) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID10217131
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name(2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C29H25N5O/c30-23(12-22-16-32-27-9-5-4-8-25(22)27)18-35-24-13-21(15-31-17-24)20-10-11-28-26(14-20)29(34-33-28)19-6-2-1-3-7-19/h1-11,13-17,23,32H,12,18,30H2,(H,33,34)/t23-/m0/s1
InChIKeyYFSJPNKAWKKQSL-QHCPKHFHSA-N
XLogP5.72
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 10217131) is (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is YFSJPNKAWKKQSL-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H25N5O/c30-23(12-22-16-32-27-9-5-4-8-25(22)27)18-35-24-13-21(15-31-17-24)20-10-11-28-26(14-20)29(34-33-28)19-6-2-1-3-7-19/h1-11,13-17,23,32H,12,18,30H2,(H,33,34)/t23-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 459.55 g/mol, XLogP of 5.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-3-[[5-(3-phenyl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 10217131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).