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

C28H25N5O3 — CID 86345901

IUPAC4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cc1
InChIInChI=1S/C28H25N5O3/c34-28(35)21-7-5-20(6-8-21)25-17-29-26(32-13-15-36-16-14-32)27-31-23(18-33(25)27)12-11-22-10-9-19-3-1-2-4-24(19)30-22/h1-10,17-18H,11-16H2,(H,34,35)
InChIKeyZCIFTLSXHKGTQU-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.26
Rot. Bonds6

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

4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid (PubChem CID 86345901) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
PubChem CID86345901
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Name4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cc1
InChIInChI=1S/C28H25N5O3/c34-28(35)21-7-5-20(6-8-21)25-17-29-26(32-13-15-36-16-14-32)27-31-23(18-33(25)27)12-11-22-10-9-19-3-1-2-4-24(19)30-22/h1-10,17-18H,11-16H2,(H,34,35)
InChIKeyZCIFTLSXHKGTQU-UHFFFAOYSA-N
XLogP4.26
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 146315981
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CID 10048776
CID 10048776
CID 10074709
CID 10074709
CID 44422549
CID 44422549
CID 53316960
CID 53316960
CID 86566601
CID 86566601
CID 89523537
CID 89523537
CID 91844700
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CID 117728248
CID 117728248

Frequently Asked Questions

What is the IUPAC name of 4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The IUPAC name of 4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid (CID 86345901) is 4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid.
What is the SMILES notation for 4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The canonical SMILES for 4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid is O=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cc1.
What is the InChIKey of 4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The InChIKey is ZCIFTLSXHKGTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c34-28(35)21-7-5-20(6-8-21)25-17-29-26(32-13-15-36-16-14-32)27-31-23(18-33(25)27)12-11-22-10-9-19-3-1-2-4-24(19)30-22/h1-10,17-18H,11-16H2,(H,34,35).
What are the key properties of 4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid?
4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid has a molecular weight of 479.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid is sourced from PubChem (CID 86345901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).