3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C22H15FN8O2 — CID 154604615

IUPAC3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1ncc(F)cn1
InChIInChI=1S/C22H15FN8O2/c23-14-9-27-16(28-10-14)11-29-21(32)19-20(24)31-18(22-26-6-7-33-22)17(30-19)13-3-4-15-12(8-13)2-1-5-25-15/h1-10H,11H2,(H2,24,31)(H,29,32)
InChIKeyJXXKXUCLDLZSOM-UHFFFAOYSA-N
MW442.41 g/mol
LogP2.79
Rot. Bonds5

About 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604615) has the molecular formula C22H15FN8O2 and a molecular weight of 442.41 g/mol. Its IUPAC name is 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604615
Molecular FormulaC22H15FN8O2
Molecular Weight442.41 g/mol
Exact Mass442.13
IUPAC Name3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1ncc(F)cn1
InChIInChI=1S/C22H15FN8O2/c23-14-9-27-16(28-10-14)11-29-21(32)19-20(24)31-18(22-26-6-7-33-22)17(30-19)13-3-4-15-12(8-13)2-1-5-25-15/h1-10H,11H2,(H2,24,31)(H,29,32)
InChIKeyJXXKXUCLDLZSOM-UHFFFAOYSA-N
XLogP2.79
TPSA145.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604615) is 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1ncc(F)cn1.
What is the InChIKey of 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is JXXKXUCLDLZSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN8O2/c23-14-9-27-16(28-10-14)11-29-21(32)19-20(24)31-18(22-26-6-7-33-22)17(30-19)13-3-4-15-12(8-13)2-1-5-25-15/h1-10H,11H2,(H2,24,31)(H,29,32).
What are the key properties of 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 442.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).