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

C22H20N4O — CID 20744862

IUPAC1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine
SMILESNC(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
InChIKeyCSIODYUJBFAVFY-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.64
Rot. Bonds6

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

1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine (PubChem CID 20744862) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine
PubChem CID20744862
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine
SMILESNC(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
InChIKeyCSIODYUJBFAVFY-UHFFFAOYSA-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

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

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Launch Full Analysis

Related Compounds

(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine
CID 10247683
(2S)-1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-(4-methylphenyl)propan-2-amine
CID 10067687
(1S)-2-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-1-phenylethanamine
CID 23644685
(2R)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]propan-2-amine
CID 10194205
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-pyridin-4-ylisoquinolin-6-yl)-3-pyridinyl]oxy]propan-2-amine
CID 23647587
6-[5-[3-(4-methylphenyl)propoxy]-3-pyridinyl]isoquinoline
CID 142256049
(2S)-1-(4-fluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 10384897
4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile
CID 22607558
6-naphthalen-2-ylisoquinoline
CID 59724414
4-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-isoquinolin-6-yl-1,3-thiazol-2-amine
CID 140541796
(2R)-4-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-1-phenylbutan-2-amine
CID 59818230
N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide
CID 171347757

Frequently Asked Questions

What is the IUPAC name of 1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine (CID 20744862) is 1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine is NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccncc1.
What is the InChIKey of 1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine?
The InChIKey is CSIODYUJBFAVFY-UHFFFAOYSA-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.
What are the key properties of 1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine?
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 1-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 20744862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).