N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide

C16H11F3N4O — CID 166432632

IUPACN-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C16H11F3N4O/c1-2-13(24)21-11-5-3-9(4-6-11)14-22-12-7-10(16(17,18)19)8-20-15(12)23-14/h2-8H,1H2,(H,21,24)(H,20,22,23)
InChIKeyBMRILWSUSOBDBB-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.77
Rot. Bonds3

About N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide

N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide (PubChem CID 166432632) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide
PubChem CID166432632
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC NameN-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C16H11F3N4O/c1-2-13(24)21-11-5-3-9(4-6-11)14-22-12-7-10(16(17,18)19)8-20-15(12)23-14/h2-8H,1H2,(H,21,24)(H,20,22,23)
InChIKeyBMRILWSUSOBDBB-UHFFFAOYSA-N
XLogP3.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide (CID 166432632) is N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide?
The InChIKey is BMRILWSUSOBDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c1-2-13(24)21-11-5-3-9(4-6-11)14-22-12-7-10(16(17,18)19)8-20-15(12)23-14/h2-8H,1H2,(H,21,24)(H,20,22,23).
What are the key properties of N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide?
N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide has a molecular weight of 332.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 166432632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).