3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid

C24H21N5O4 — CID 59754694

IUPAC3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H21N5O4/c30-23(28-10-12-33-13-11-28)16-4-6-19(7-5-16)26-21-22-25-8-9-29(22)15-20(27-21)17-2-1-3-18(14-17)24(31)32/h1-9,14-15H,10-13H2,(H,26,27)(H,31,32)
InChIKeySMOJWWQFKJJXBN-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.31
Rot. Bonds5

About 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid

3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid (PubChem CID 59754694) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid.

Molecular Properties

Compound Name3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid
PubChem CID59754694
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H21N5O4/c30-23(28-10-12-33-13-11-28)16-4-6-19(7-5-16)26-21-22-25-8-9-29(22)15-20(27-21)17-2-1-3-18(14-17)24(31)32/h1-9,14-15H,10-13H2,(H,26,27)(H,31,32)
InChIKeySMOJWWQFKJJXBN-UHFFFAOYSA-N
XLogP3.31
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
The IUPAC name of 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid (CID 59754694) is 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid.
What is the SMILES notation for 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
The canonical SMILES for 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid is O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c1.
What is the InChIKey of 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
The InChIKey is SMOJWWQFKJJXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c30-23(28-10-12-33-13-11-28)16-4-6-19(7-5-16)26-21-22-25-8-9-29(22)15-20(27-21)17-2-1-3-18(14-17)24(31)32/h1-9,14-15H,10-13H2,(H,26,27)(H,31,32).
What are the key properties of 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid has a molecular weight of 443.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid is sourced from PubChem (CID 59754694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).