N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine

C16H19F3N4 — CID 166694604

IUPACN-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine
SMILESCC/C(C)=C/N=C(\CC)c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H19F3N4/c1-5-10(3)8-20-12(6-2)15-22-13-7-11(16(17,18)19)9-21-14(13)23(15)4/h7-9H,5-6H2,1-4H3/b10-8+,20-12+
InChIKeyCAARSKQEIOOBAA-NTPQCHGPSA-N
MW324.35 g/mol
LogP4.50
Rot. Bonds4

About N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine

N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine (PubChem CID 166694604) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine
PubChem CID166694604
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC NameN-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine
SMILESCC/C(C)=C/N=C(\CC)c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H19F3N4/c1-5-10(3)8-20-12(6-2)15-22-13-7-11(16(17,18)19)9-21-14(13)23(15)4/h7-9H,5-6H2,1-4H3/b10-8+,20-12+
InChIKeyCAARSKQEIOOBAA-NTPQCHGPSA-N
XLogP4.50
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-[2-ethylsulfonyl-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethylidene]amino] acetate
CID 142305716
2-ethylsulfanyl-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanone;N-[2-ethylsulfanyl-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethylidene]hydroxylamine
CID 157456060
(Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride
CID 166794703
2-(5-ethyl-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162488587
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 158043161
N-[(E)-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]methylideneamino]ethanamine
CID 172922026
2-chloro-4-ethylsulfanyl-N,N-dihydroxy-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]aniline
CID 162611112
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899
2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840
3-[ethyl-[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)-3-pyridinyl]-oxo-λ6-sulfanylidene]-1,1-dimethylurea
CID 118086396
2-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]acetic acid
CID 175052393

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine?
The IUPAC name of N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine (CID 166694604) is N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine.
What is the SMILES notation for N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine?
The canonical SMILES for N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine is CC/C(C)=C/N=C(\CC)c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine?
The InChIKey is CAARSKQEIOOBAA-NTPQCHGPSA-N. The full InChI is InChI=1S/C16H19F3N4/c1-5-10(3)8-20-12(6-2)15-22-13-7-11(16(17,18)19)9-21-14(13)23(15)4/h7-9H,5-6H2,1-4H3/b10-8+,20-12+.
What are the key properties of N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine?
N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine has a molecular weight of 324.35 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylbut-1-enyl]-1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-imine is sourced from PubChem (CID 166694604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).