4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol

C17H18N4O2 — CID 135674297

IUPAC4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1O
InChIInChI=1S/C17H18N4O2/c22-13-6-5-11(9-14(13)23)16-17(19-12-3-1-2-4-12)21-8-7-18-10-15(21)20-16/h5-10,12,19,22-23H,1-4H2
InChIKeyXLZWGDFEGOFOQT-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.16
Rot. Bonds3

About 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol

4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol (PubChem CID 135674297) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
PubChem CID135674297
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1O
InChIInChI=1S/C17H18N4O2/c22-13-6-5-11(9-14(13)23)16-17(19-12-3-1-2-4-12)21-8-7-18-10-15(21)20-16/h5-10,12,19,22-23H,1-4H2
InChIKeyXLZWGDFEGOFOQT-UHFFFAOYSA-N
XLogP3.16
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol 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

N-cyclohexyl-2-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-3-amine
CID 174194223
4-bromo-3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 155179314
2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine
CID 42601027
N,2-dicyclohexylimidazo[1,2-a]pyrazin-3-amine
CID 138535553
N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine
CID 162166087
4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 855600
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 861991
4-[3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
CID 135674296
N-cyclohexyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]imidazo[1,2-a]pyrazin-3-amine
CID 132585236
4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 861692
4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 138535788
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol (CID 135674297) is 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol is Oc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1O.
What is the InChIKey of 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol?
The InChIKey is XLZWGDFEGOFOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-13-6-5-11(9-14(13)23)16-17(19-12-3-1-2-4-12)21-8-7-18-10-15(21)20-16/h5-10,12,19,22-23H,1-4H2.
What are the key properties of 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol?
4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol has a molecular weight of 310.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol is sourced from PubChem (CID 135674297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).