3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C24H23FN6 — CID 171495309

IUPAC3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESC/C=C(F)\C(=N/C)c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC)cc3)c2n1
InChIInChI=1S/C24H23FN6/c1-4-15-8-10-16(11-9-15)31-23(17-7-6-14-28-22(17)26)30-20-13-12-19(29-24(20)31)21(27-3)18(25)5-2/h5-14H,4H2,1-3H3,(H2,26,28)/b18-5+,27-21+
InChIKeyUMIUGQITSYMCJN-ACHXRSSSSA-N
MW414.49 g/mol
LogP4.92
Rot. Bonds5

About 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171495309) has the molecular formula C24H23FN6 and a molecular weight of 414.49 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171495309
Molecular FormulaC24H23FN6
Molecular Weight414.49 g/mol
Exact Mass414.20
IUPAC Name3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESC/C=C(F)\C(=N/C)c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC)cc3)c2n1
InChIInChI=1S/C24H23FN6/c1-4-15-8-10-16(11-9-15)31-23(17-7-6-14-28-22(17)26)30-20-13-12-19(29-24(20)31)21(27-3)18(25)5-2/h5-14H,4H2,1-3H3,(H2,26,28)/b18-5+,27-21+
InChIKeyUMIUGQITSYMCJN-ACHXRSSSSA-N
XLogP4.92
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495308
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
[4-[5-[(Z)-1-amino-2-[amino(ethyl)amino]ethenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;ethane
CID 171495135
3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171496093
ethane;3-[3-(4-ethylphenyl)-5-(2-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171496092
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603
4-[[4-[2-(2-amino-3-pyridinyl)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-amine;ethane
CID 171494943
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol
CID 171495070
3-[2-(2-amino-3-pyridinyl)-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one;ethane
CID 171496245
[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 174235787

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171495309) is 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is C/C=C(F)\C(=N/C)c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC)cc3)c2n1.
What is the InChIKey of 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is UMIUGQITSYMCJN-ACHXRSSSSA-N. The full InChI is InChI=1S/C24H23FN6/c1-4-15-8-10-16(11-9-15)31-23(17-7-6-14-28-22(17)26)30-20-13-12-19(29-24(20)31)21(27-3)18(25)5-2/h5-14H,4H2,1-3H3,(H2,26,28)/b18-5+,27-21+.
What are the key properties of 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 414.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylphenyl)-5-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171495309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).