2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid

C22H21N7O4 — CID 69494239

IUPAC2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid
SMILESNC(=O)c1oc(-c2cnc(Nc3ccc(N4CCNCC4)cc3)c3nccn23)cc1C(=O)O
InChIInChI=1S/C22H21N7O4/c23-19(30)18-15(22(31)32)11-17(33-18)16-12-26-20(21-25-7-10-29(16)21)27-13-1-3-14(4-2-13)28-8-5-24-6-9-28/h1-4,7,10-12,24H,5-6,8-9H2,(H2,23,30)(H,26,27)(H,31,32)
InChIKeySLYGACUUNSVAOF-UHFFFAOYSA-N
MW447.46 g/mol
LogP1.94
Rot. Bonds6

About 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid

2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid (PubChem CID 69494239) has the molecular formula C22H21N7O4 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid
PubChem CID69494239
Molecular FormulaC22H21N7O4
Molecular Weight447.46 g/mol
Exact Mass447.17
IUPAC Name2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid
SMILESNC(=O)c1oc(-c2cnc(Nc3ccc(N4CCNCC4)cc3)c3nccn23)cc1C(=O)O
InChIInChI=1S/C22H21N7O4/c23-19(30)18-15(22(31)32)11-17(33-18)16-12-26-20(21-25-7-10-29(16)21)27-13-1-3-14(4-2-13)28-8-5-24-6-9-28/h1-4,7,10-12,24H,5-6,8-9H2,(H2,23,30)(H,26,27)(H,31,32)
InChIKeySLYGACUUNSVAOF-UHFFFAOYSA-N
XLogP1.94
TPSA151.02 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 57400976
4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 59023121
4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 143578187
4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 59023103
3-(1-chloropyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143461051
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide
CID 59023095
5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide
CID 167334977
2-[[5-fluoro-4-(4-piperazin-1-ylanilino)pyrimidin-2-yl]amino]benzoic acid
CID 175965161
N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 71158120
5-(6-aminopyrazin-2-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 155635343
5-[8-(4-piperazin-1-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 143585612

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid?
The IUPAC name of 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid (CID 69494239) is 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid?
The canonical SMILES for 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid is NC(=O)c1oc(-c2cnc(Nc3ccc(N4CCNCC4)cc3)c3nccn23)cc1C(=O)O.
What is the InChIKey of 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid?
The InChIKey is SLYGACUUNSVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O4/c23-19(30)18-15(22(31)32)11-17(33-18)16-12-26-20(21-25-7-10-29(16)21)27-13-1-3-14(4-2-13)28-8-5-24-6-9-28/h1-4,7,10-12,24H,5-6,8-9H2,(H2,23,30)(H,26,27)(H,31,32).
What are the key properties of 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid?
2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid has a molecular weight of 447.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-5-[8-(4-piperazin-1-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxylic acid is sourced from PubChem (CID 69494239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).