N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline

C40H32F2N6 — CID 161390343

IUPACN-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCCNc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1.Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C21H18FN3.C19H14FN3/c1-2-23-19-5-3-4-17(12-19)20-14-24-21-13-16(10-11-25(20)21)15-6-8-18(22)9-7-15;20-16-6-4-13(5-7-16)14-8-9-23-18(12-22-19(23)11-14)15-2-1-3-17(21)10-15/h3-14,23H,2H2,1H3;1-12H,21H2
InChIKeyVSXFMJMLAUTVDC-UHFFFAOYSA-N
MW634.73 g/mol
LogP9.63
Rot. Bonds6

About N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline

N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline (PubChem CID 161390343) has the molecular formula C40H32F2N6 and a molecular weight of 634.73 g/mol. Its IUPAC name is N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline.

Molecular Properties

Compound NameN-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline
PubChem CID161390343
Molecular FormulaC40H32F2N6
Molecular Weight634.73 g/mol
Exact Mass634.27
IUPAC NameN-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCCNc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1.Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C21H18FN3.C19H14FN3/c1-2-23-19-5-3-4-17(12-19)20-14-24-21-13-16(10-11-25(20)21)15-6-8-18(22)9-7-15;20-16-6-4-13(5-7-16)14-8-9-23-18(12-22-19(23)11-14)15-2-1-3-17(21)10-15/h3-14,23H,2H2,1H3;1-12H,21H2
InChIKeyVSXFMJMLAUTVDC-UHFFFAOYSA-N
XLogP9.63
TPSA72.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.73
LogP ≤ 59.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 143706859
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
3-[7-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 143707303
3-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 89259333
3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine
CID 118431180
N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide
CID 143908002
3-(7-methoxyimidazo[1,2-a]pyridin-3-yl)aniline
CID 162371946
3-(7-pyrazin-2-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 143908104
methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate
CID 143707078
3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea
CID 68595157
1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
CID 143706851
7-(4-fluorophenyl)-3-(1H-indol-6-yl)imidazo[1,2-a]pyridine
CID 59321013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline?
The IUPAC name of N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline (CID 161390343) is N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline.
What is the SMILES notation for N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline?
The canonical SMILES for N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline is CCNc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1.Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1.
What is the InChIKey of N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline?
The InChIKey is VSXFMJMLAUTVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3.C19H14FN3/c1-2-23-19-5-3-4-17(12-19)20-14-24-21-13-16(10-11-25(20)21)15-6-8-18(22)9-7-15;20-16-6-4-13(5-7-16)14-8-9-23-18(12-22-19(23)11-14)15-2-1-3-17(21)10-15/h3-14,23H,2H2,1H3;1-12H,21H2.
What are the key properties of N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline?
N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline has a molecular weight of 634.73 g/mol, XLogP of 9.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline is sourced from PubChem (CID 161390343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).