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

C27H24N6O3 — CID 123133235

IUPAC5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C27H24N6O3/c34-27(35)23-10-6-19(15-28-23)24-16-29-25(32-11-13-36-14-12-32)26-31-21(17-33(24)26)9-8-20-7-5-18-3-1-2-4-22(18)30-20/h1-7,10,15-17H,8-9,11-14H2,(H,34,35)
InChIKeyCKSCCFQIWQXCDR-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.66
Rot. Bonds6

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

5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid (PubChem CID 123133235) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid
PubChem CID123133235
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C27H24N6O3/c34-27(35)23-10-6-19(15-28-23)24-16-29-25(32-11-13-36-14-12-32)26-31-21(17-33(24)26)9-8-20-7-5-18-3-1-2-4-22(18)30-20/h1-7,10,15-17H,8-9,11-14H2,(H,34,35)
InChIKeyCKSCCFQIWQXCDR-UHFFFAOYSA-N
XLogP3.66
TPSA105.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.66
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-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid (CID 123133235) is 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cn1.
What is the InChIKey of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid?
The InChIKey is CKSCCFQIWQXCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c34-27(35)23-10-6-19(15-28-23)24-16-29-25(32-11-13-36-14-12-32)26-31-21(17-33(24)26)9-8-20-7-5-18-3-1-2-4-22(18)30-20/h1-7,10,15-17H,8-9,11-14H2,(H,34,35).
What are the key properties of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid?
5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid has a molecular weight of 480.53 g/mol, XLogP of 3.66, 6 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-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123133235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).