2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide

C22H17N5O2 — CID 59224422

IUPAC2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1
InChIInChI=1S/C22H17N5O2/c28-21(13-27-12-16-3-1-2-4-19(16)22(27)29)26-20-8-17-7-14(18-10-24-25-11-18)5-6-15(17)9-23-20/h1-11H,12-13H2,(H,24,25)(H,23,26,28)
InChIKeyZQWUHARRTNAESS-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide

2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide (PubChem CID 59224422) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide
PubChem CID59224422
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1
InChIInChI=1S/C22H17N5O2/c28-21(13-27-12-16-3-1-2-4-19(16)22(27)29)26-20-8-17-7-14(18-10-24-25-11-18)5-6-15(17)9-23-20/h1-11H,12-13H2,(H,24,25)(H,23,26,28)
InChIKeyZQWUHARRTNAESS-UHFFFAOYSA-N
XLogP3.22
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide?
The IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide (CID 59224422) is 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide.
What is the SMILES notation for 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide?
The canonical SMILES for 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide is O=C(CN1Cc2ccccc2C1=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1.
What is the InChIKey of 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide?
The InChIKey is ZQWUHARRTNAESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-21(13-27-12-16-3-1-2-4-19(16)22(27)29)26-20-8-17-7-14(18-10-24-25-11-18)5-6-15(17)9-23-20/h1-11H,12-13H2,(H,24,25)(H,23,26,28).
What are the key properties of 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide?
2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide is sourced from PubChem (CID 59224422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).