(2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine

C26H23N5O — CID 23647443

IUPAC(2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)c1)Cc1ccccc1
InChIInChI=1S/C26H23N5O/c27-21(11-18-7-3-1-4-8-18)17-32-22-12-20(14-28-15-22)24-13-23-25(16-29-24)30-31-26(23)19-9-5-2-6-10-19/h1-10,12-16,21H,11,17,27H2,(H,30,31)/t21-/m0/s1
InChIKeyNEHWSPJUDZLKNN-NRFANRHFSA-N
MW421.50 g/mol
LogP4.64
Rot. Bonds7

About (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 23647443) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID23647443
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name(2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)c1)Cc1ccccc1
InChIInChI=1S/C26H23N5O/c27-21(11-18-7-3-1-4-8-18)17-32-22-12-20(14-28-15-22)24-13-23-25(16-29-24)30-31-26(23)19-9-5-2-6-10-19/h1-10,12-16,21H,11,17,27H2,(H,30,31)/t21-/m0/s1
InChIKeyNEHWSPJUDZLKNN-NRFANRHFSA-N
XLogP4.64
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 23647443) is (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)c1)Cc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is NEHWSPJUDZLKNN-NRFANRHFSA-N. The full InChI is InChI=1S/C26H23N5O/c27-21(11-18-7-3-1-4-8-18)17-32-22-12-20(14-28-15-22)24-13-23-25(16-29-24)30-31-26(23)19-9-5-2-6-10-19/h1-10,12-16,21H,11,17,27H2,(H,30,31)/t21-/m0/s1.
What are the key properties of (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 421.50 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-3-[[5-(3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 23647443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).