8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid

C17H17N5O3 — CID 91311087

IUPAC8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid
SMILESO=C(O)c1cnc(N(c2ccccc2)N2CCOCC2)c2nccn12
InChIInChI=1S/C17H17N5O3/c23-17(24)14-12-19-16(15-18-6-7-21(14)15)22(13-4-2-1-3-5-13)20-8-10-25-11-9-20/h1-7,12H,8-11H2,(H,23,24)
InChIKeyZGXBLUJVAWFHCQ-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.81
Rot. Bonds4

About 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid

8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid (PubChem CID 91311087) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid
PubChem CID91311087
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid
SMILESO=C(O)c1cnc(N(c2ccccc2)N2CCOCC2)c2nccn12
InChIInChI=1S/C17H17N5O3/c23-17(24)14-12-19-16(15-18-6-7-21(14)15)22(13-4-2-1-3-5-13)20-8-10-25-11-9-20/h1-7,12H,8-11H2,(H,23,24)
InChIKeyZGXBLUJVAWFHCQ-UHFFFAOYSA-N
XLogP1.81
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid?
The IUPAC name of 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid (CID 91311087) is 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid is O=C(O)c1cnc(N(c2ccccc2)N2CCOCC2)c2nccn12.
What is the InChIKey of 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid?
The InChIKey is ZGXBLUJVAWFHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-17(24)14-12-19-16(15-18-6-7-21(14)15)22(13-4-2-1-3-5-13)20-8-10-25-11-9-20/h1-7,12H,8-11H2,(H,23,24).
What are the key properties of 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid?
8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid has a molecular weight of 339.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 91311087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).