4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid

C25H23N5O4 — CID 123844636

IUPAC4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid
SMILESCOc1cccc(C=Cc2cn3c(-c4ccc(C(=O)O)cc4)cnc(N4CCOCC4)c3n2)n1
InChIInChI=1S/C25H23N5O4/c1-33-22-4-2-3-19(27-22)9-10-20-16-30-21(17-5-7-18(8-6-17)25(31)32)15-26-23(24(30)28-20)29-11-13-34-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,31,32)
InChIKeyYIIQLTQCDBURHP-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.51
Rot. Bonds6

About 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid

4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid (PubChem CID 123844636) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid
PubChem CID123844636
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid
SMILESCOc1cccc(C=Cc2cn3c(-c4ccc(C(=O)O)cc4)cnc(N4CCOCC4)c3n2)n1
InChIInChI=1S/C25H23N5O4/c1-33-22-4-2-3-19(27-22)9-10-20-16-30-21(17-5-7-18(8-6-17)25(31)32)15-26-23(24(30)28-20)29-11-13-34-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,31,32)
InChIKeyYIIQLTQCDBURHP-UHFFFAOYSA-N
XLogP3.51
TPSA102.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate
CID 154071232
[[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate
CID 123657151
4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123632757
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123392808
4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]benzoic acid
CID 69311769
tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 86345944
N,N-dimethyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl)benzamide
CID 126473291
5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 86345643
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 91844700
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 134505023

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The IUPAC name of 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid (CID 123844636) is 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid.
What is the SMILES notation for 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The canonical SMILES for 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid is COc1cccc(C=Cc2cn3c(-c4ccc(C(=O)O)cc4)cnc(N4CCOCC4)c3n2)n1.
What is the InChIKey of 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid?
The InChIKey is YIIQLTQCDBURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-33-22-4-2-3-19(27-22)9-10-20-16-30-21(17-5-7-18(8-6-17)25(31)32)15-26-23(24(30)28-20)29-11-13-34-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,31,32).
What are the key properties of 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid?
4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid has a molecular weight of 457.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid is sourced from PubChem (CID 123844636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).