4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide

C13H10ClN5O — CID 146656797

IUPAC4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESNC(=O)c1ccc(-c2cn3ccnc3c(NCl)n2)cc1
InChIInChI=1S/C13H10ClN5O/c14-18-12-13-16-5-6-19(13)7-10(17-12)8-1-3-9(4-2-8)11(15)20/h1-7H,(H2,15,20)(H,17,18)
InChIKeyVAPZQMOCOGIOQQ-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.06
Rot. Bonds3

About 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide

4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 146656797) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound Name4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID146656797
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESNC(=O)c1ccc(-c2cn3ccnc3c(NCl)n2)cc1
InChIInChI=1S/C13H10ClN5O/c14-18-12-13-16-5-6-19(13)7-10(17-12)8-1-3-9(4-2-8)11(15)20/h1-7H,(H2,15,20)(H,17,18)
InChIKeyVAPZQMOCOGIOQQ-UHFFFAOYSA-N
XLogP2.06
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[3-[8-(4-carbamoylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754735
N-cyclopropyl-4-[8-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 67975704
N-methyl-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 21070891
N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 67975883
3-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]anilino]benzoic acid
CID 68794839
4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid
CID 11669556
4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide
CID 69200599
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
CID 11397050
4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide
CID 91526165
4-[[3-[8-(4-tert-butylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]carbamoyl]benzoic acid
CID 90656833
1-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-pyridin-3-ylpropan-1-one
CID 159019087
N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 90717776

Frequently Asked Questions

What is the IUPAC name of 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 146656797) is 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide is NC(=O)c1ccc(-c2cn3ccnc3c(NCl)n2)cc1.
What is the InChIKey of 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is VAPZQMOCOGIOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-18-12-13-16-5-6-19(13)7-10(17-12)8-1-3-9(4-2-8)11(15)20/h1-7H,(H2,15,20)(H,17,18).
What are the key properties of 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 287.71 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(chloroamino)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 146656797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).