3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide

C16H21F3N4O2 — CID 90447806

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCc1ccc2nc(NC(=O)CCOC(C)(C)C)n(CC(F)(F)F)c2n1
InChIInChI=1S/C16H21F3N4O2/c1-10-5-6-11-13(20-10)23(9-16(17,18)19)14(21-11)22-12(24)7-8-25-15(2,3)4/h5-6H,7-9H2,1-4H3,(H,21,22,24)
InChIKeyQSWVHGNIYXZFQR-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.45
Rot. Bonds5

About 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide

3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 90447806) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID90447806
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCc1ccc2nc(NC(=O)CCOC(C)(C)C)n(CC(F)(F)F)c2n1
InChIInChI=1S/C16H21F3N4O2/c1-10-5-6-11-13(20-10)23(9-16(17,18)19)14(21-11)22-12(24)7-8-25-15(2,3)4/h5-6H,7-9H2,1-4H3,(H,21,22,24)
InChIKeyQSWVHGNIYXZFQR-UHFFFAOYSA-N
XLogP3.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (CID 90447806) is 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is Cc1ccc2nc(NC(=O)CCOC(C)(C)C)n(CC(F)(F)F)c2n1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is QSWVHGNIYXZFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-10-5-6-11-13(20-10)23(9-16(17,18)19)14(21-11)22-12(24)7-8-25-15(2,3)4/h5-6H,7-9H2,1-4H3,(H,21,22,24).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 358.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-[5-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 90447806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).