3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one

C22H19N5O2 — CID 118660581

IUPAC3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(N5CCOC5=O)cc34)cc2)cn1
InChIInChI=1S/C22H19N5O2/c1-26-13-16(11-25-26)14-2-4-15(5-3-14)20-12-24-21(23)18-7-6-17(10-19(18)20)27-8-9-29-22(27)28/h2-7,10-13H,8-9H2,1H3,(H2,23,24)
InChIKeyUEMDLSOAXRVEIR-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.84
Rot. Bonds3

About 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one

3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one (PubChem CID 118660581) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one
PubChem CID118660581
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(N5CCOC5=O)cc34)cc2)cn1
InChIInChI=1S/C22H19N5O2/c1-26-13-16(11-25-26)14-2-4-15(5-3-14)20-12-24-21(23)18-7-6-17(10-19(18)20)27-8-9-29-22(27)28/h2-7,10-13H,8-9H2,1H3,(H2,23,24)
InChIKeyUEMDLSOAXRVEIR-UHFFFAOYSA-N
XLogP3.84
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one (CID 118660581) is 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one is Cn1cc(-c2ccc(-c3cnc(N)c4ccc(N5CCOC5=O)cc34)cc2)cn1.
What is the InChIKey of 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one?
The InChIKey is UEMDLSOAXRVEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-26-13-16(11-25-26)14-2-4-15(5-3-14)20-12-24-21(23)18-7-6-17(10-19(18)20)27-8-9-29-22(27)28/h2-7,10-13H,8-9H2,1H3,(H2,23,24).
What are the key properties of 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one?
3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 385.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118660581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).