5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol

C17H17N3O — CID 168882801

IUPAC5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol
SMILESCC(C)c1ncc(-c2ccc3cnc(N)cc3c2)cc1O
InChIInChI=1S/C17H17N3O/c1-10(2)17-15(21)6-14(9-20-17)11-3-4-12-8-19-16(18)7-13(12)5-11/h3-10,21H,1-2H3,(H2,18,19)
InChIKeyLHWBHCCMLQFQCM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.71
Rot. Bonds2

About 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol

5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol (PubChem CID 168882801) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol.

Molecular Properties

Compound Name5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol
PubChem CID168882801
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol
SMILESCC(C)c1ncc(-c2ccc3cnc(N)cc3c2)cc1O
InChIInChI=1S/C17H17N3O/c1-10(2)17-15(21)6-14(9-20-17)11-3-4-12-8-19-16(18)7-13(12)5-11/h3-10,21H,1-2H3,(H2,18,19)
InChIKeyLHWBHCCMLQFQCM-UHFFFAOYSA-N
XLogP3.71
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol?
The IUPAC name of 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol (CID 168882801) is 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol.
What is the SMILES notation for 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol?
The canonical SMILES for 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol is CC(C)c1ncc(-c2ccc3cnc(N)cc3c2)cc1O.
What is the InChIKey of 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol?
The InChIKey is LHWBHCCMLQFQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10(2)17-15(21)6-14(9-20-17)11-3-4-12-8-19-16(18)7-13(12)5-11/h3-10,21H,1-2H3,(H2,18,19).
What are the key properties of 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol?
5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol has a molecular weight of 279.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoisoquinolin-6-yl)-2-propan-2-ylpyridin-3-ol is sourced from PubChem (CID 168882801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).