3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C26H17N7O2 — CID 154657852

IUPAC3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)Nc1nccc2ccccc12
InChIInChI=1S/C26H17N7O2/c27-23-22(25(34)33-24-18-6-2-1-4-15(18)9-11-29-24)31-20(21(32-23)26-30-12-13-35-26)17-7-8-19-16(14-17)5-3-10-28-19/h1-14H,(H2,27,32)(H,29,33,34)
InChIKeyGROYJKNDWUSXDT-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.73
Rot. Bonds4

About 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154657852) has the molecular formula C26H17N7O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154657852
Molecular FormulaC26H17N7O2
Molecular Weight459.47 g/mol
Exact Mass459.14
IUPAC Name3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)Nc1nccc2ccccc12
InChIInChI=1S/C26H17N7O2/c27-23-22(25(34)33-24-18-6-2-1-4-15(18)9-11-29-24)31-20(21(32-23)26-30-12-13-35-26)17-7-8-19-16(14-17)5-3-10-28-19/h1-14H,(H2,27,32)(H,29,33,34)
InChIKeyGROYJKNDWUSXDT-UHFFFAOYSA-N
XLogP4.73
TPSA132.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154657852) is 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)Nc1nccc2ccccc12.
What is the InChIKey of 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is GROYJKNDWUSXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N7O2/c27-23-22(25(34)33-24-18-6-2-1-4-15(18)9-11-29-24)31-20(21(32-23)26-30-12-13-35-26)17-7-8-19-16(14-17)5-3-10-28-19/h1-14H,(H2,27,32)(H,29,33,34).
What are the key properties of 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-isoquinolin-1-yl-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154657852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).