4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide

C23H30FN7O — CID 176566370

IUPAC4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide
SMILESCNc1cc(N2CC(C)NC(C)C2)cc(OC)c1/C(N)=N/c1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C23H30FN7O/c1-13-9-30(10-14(2)27-13)17-7-19(26-4)21(20(8-17)32-5)22(25)29-16-6-18(24)23-28-15(3)11-31(23)12-16/h6-8,11-14,26-27H,9-10H2,1-5H3,(H2,25,29)
InChIKeyGEWURISCEMONGM-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.06
Rot. Bonds5

About 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide

4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide (PubChem CID 176566370) has the molecular formula C23H30FN7O and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide
PubChem CID176566370
Molecular FormulaC23H30FN7O
Molecular Weight439.54 g/mol
Exact Mass439.25
IUPAC Name4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide
SMILESCNc1cc(N2CC(C)NC(C)C2)cc(OC)c1/C(N)=N/c1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C23H30FN7O/c1-13-9-30(10-14(2)27-13)17-7-19(26-4)21(20(8-17)32-5)22(25)29-16-6-18(24)23-28-15(3)11-31(23)12-16/h6-8,11-14,26-27H,9-10H2,1-5H3,(H2,25,29)
InChIKeyGEWURISCEMONGM-UHFFFAOYSA-N
XLogP3.06
TPSA92.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide?
The IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide (CID 176566370) is 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide?
The canonical SMILES for 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide is CNc1cc(N2CC(C)NC(C)C2)cc(OC)c1/C(N)=N/c1cc(F)c2nc(C)cn2c1.
What is the InChIKey of 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide?
The InChIKey is GEWURISCEMONGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN7O/c1-13-9-30(10-14(2)27-13)17-7-19(26-4)21(20(8-17)32-5)22(25)29-16-6-18(24)23-28-15(3)11-31(23)12-16/h6-8,11-14,26-27H,9-10H2,1-5H3,(H2,25,29).
What are the key properties of 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide?
4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide has a molecular weight of 439.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 176566370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).