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

C20H19N5O — CID 23647436

IUPAC(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1ccccc1
InChIInChI=1S/C20H19N5O/c21-17(6-14-4-2-1-3-5-14)13-26-18-7-15(9-22-11-18)19-8-16-10-24-25-20(16)12-23-19/h1-5,7-12,17H,6,13,21H2,(H,24,25)/t17-/m0/s1
InChIKeyUPWMWRRIGPQATG-KRWDZBQOSA-N
MW345.41 g/mol
LogP2.97
Rot. Bonds6

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

(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 23647436) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID23647436
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1ccccc1
InChIInChI=1S/C20H19N5O/c21-17(6-14-4-2-1-3-5-14)13-26-18-7-15(9-22-11-18)19-8-16-10-24-25-20(16)12-23-19/h1-5,7-12,17H,6,13,21H2,(H,24,25)/t17-/m0/s1
InChIKeyUPWMWRRIGPQATG-KRWDZBQOSA-N
XLogP2.97
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.97
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-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 23647436) is (2S)-1-phenyl-3-[[5-(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-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is UPWMWRRIGPQATG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N5O/c21-17(6-14-4-2-1-3-5-14)13-26-18-7-15(9-22-11-18)19-8-16-10-24-25-20(16)12-23-19/h1-5,7-12,17H,6,13,21H2,(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 345.41 g/mol, XLogP of 2.97, 6 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-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 23647436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).