(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine

C22H20N4O — CID 10247683

IUPAC(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccncc1
InChIInChI=1S/C22H20N4O/c23-21(9-16-3-6-24-7-4-16)15-27-22-11-20(13-26-14-22)17-1-2-19-12-25-8-5-18(19)10-17/h1-8,10-14,21H,9,15,23H2/t21-/m0/s1
InChIKeyCSIODYUJBFAVFY-NRFANRHFSA-N
MW356.43 g/mol
LogP3.64
Rot. Bonds6

About (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine

(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine (PubChem CID 10247683) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine
PubChem CID10247683
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccncc1
InChIInChI=1S/C22H20N4O/c23-21(9-16-3-6-24-7-4-16)15-27-22-11-20(13-26-14-22)17-1-2-19-12-25-8-5-18(19)10-17/h1-8,10-14,21H,9,15,23H2/t21-/m0/s1
InChIKeyCSIODYUJBFAVFY-NRFANRHFSA-N
XLogP3.64
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine (CID 10247683) is (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine is N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccncc1.
What is the InChIKey of (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine?
The InChIKey is CSIODYUJBFAVFY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N4O/c23-21(9-16-3-6-24-7-4-16)15-27-22-11-20(13-26-14-22)17-1-2-19-12-25-8-5-18(19)10-17/h1-8,10-14,21H,9,15,23H2/t21-/m0/s1.
What are the key properties of (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine?
(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine has a molecular weight of 356.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 10247683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).