5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid

C27H22N6O3 — CID 123542222

IUPAC5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cnc(N3CCOCC3)c3nc(C=Cc4ccc5ccccc5n4)cn23)c1
InChIInChI=1S/C27H22N6O3/c34-27(35)20-13-19(14-28-15-20)24-16-29-25(32-9-11-36-12-10-32)26-31-22(17-33(24)26)8-7-21-6-5-18-3-1-2-4-23(18)30-21/h1-8,13-17H,9-12H2,(H,34,35)
InChIKeyXVOYZWSNDAARNP-UHFFFAOYSA-N
MW478.51 g/mol
LogP4.04
Rot. Bonds5

About 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid

5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid (PubChem CID 123542222) has the molecular formula C27H22N6O3 and a molecular weight of 478.51 g/mol. Its IUPAC name is 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid
PubChem CID123542222
Molecular FormulaC27H22N6O3
Molecular Weight478.51 g/mol
Exact Mass478.18
IUPAC Name5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cnc(N3CCOCC3)c3nc(C=Cc4ccc5ccccc5n4)cn23)c1
InChIInChI=1S/C27H22N6O3/c34-27(35)20-13-19(14-28-15-20)24-16-29-25(32-9-11-36-12-10-32)26-31-22(17-33(24)26)8-7-21-6-5-18-3-1-2-4-23(18)30-21/h1-8,13-17H,9-12H2,(H,34,35)
InChIKeyXVOYZWSNDAARNP-UHFFFAOYSA-N
XLogP4.04
TPSA105.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid (CID 123542222) is 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cnc(N3CCOCC3)c3nc(C=Cc4ccc5ccccc5n4)cn23)c1.
What is the InChIKey of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid?
The InChIKey is XVOYZWSNDAARNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O3/c34-27(35)20-13-19(14-28-15-20)24-16-29-25(32-9-11-36-12-10-32)26-31-22(17-33(24)26)8-7-21-6-5-18-3-1-2-4-23(18)30-21/h1-8,13-17H,9-12H2,(H,34,35).
What are the key properties of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid?
5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid has a molecular weight of 478.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 123542222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).