4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide

C21H25FN6 — CID 111148387

IUPAC4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(/NCCc1cn2ccccc2n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN6/c1-23-21(24-10-9-17-16-28-11-5-4-8-20(28)25-17)27-14-12-26(13-15-27)19-7-3-2-6-18(19)22/h2-8,11,16H,9-10,12-15H2,1H3,(H,23,24)
InChIKeyTWLNJOAAEVPMQB-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.41
Rot. Bonds4

About 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide

4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 111148387) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID111148387
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(/NCCc1cn2ccccc2n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN6/c1-23-21(24-10-9-17-16-28-11-5-4-8-20(28)25-17)27-14-12-26(13-15-27)19-7-3-2-6-18(19)22/h2-8,11,16H,9-10,12-15H2,1H3,(H,23,24)
InChIKeyTWLNJOAAEVPMQB-UHFFFAOYSA-N
XLogP2.41
TPSA48.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184637
4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166652
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745047
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130663
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 4701931
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide
CID 110961655
4-(2-fluorophenyl)-N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]piperazine-1-carboximidamide
CID 111148895
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-morpholin-4-ylbenzamide
CID 131948507
3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
CID 111148259

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide (CID 111148387) is 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(/NCCc1cn2ccccc2n1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is TWLNJOAAEVPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c1-23-21(24-10-9-17-16-28-11-5-4-8-20(28)25-17)27-14-12-26(13-15-27)19-7-3-2-6-18(19)22/h2-8,11,16H,9-10,12-15H2,1H3,(H,23,24).
What are the key properties of 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide?
4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 380.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 111148387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).