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

C19H25F3N4O3 — CID 90447833

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCCOC1
InChIInChI=1S/C19H25F3N4O3/c1-18(2,3)29-10-8-15(27)25-17-23-13-6-7-14(19(20,21)22)24-16(13)26(17)12-5-4-9-28-11-12/h6-7,12H,4-5,8-11H2,1-3H3,(H,23,25,27)
InChIKeyKNQMKNJURGGFKW-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.95
Rot. Bonds5

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

3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 90447833) has the molecular formula C19H25F3N4O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID90447833
Molecular FormulaC19H25F3N4O3
Molecular Weight414.43 g/mol
Exact Mass414.19
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCCOC1
InChIInChI=1S/C19H25F3N4O3/c1-18(2,3)29-10-8-15(27)25-17-23-13-6-7-14(19(20,21)22)24-16(13)26(17)12-5-4-9-28-11-12/h6-7,12H,4-5,8-11H2,1-3H3,(H,23,25,27)
InChIKeyKNQMKNJURGGFKW-UHFFFAOYSA-N
XLogP3.95
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (CID 90447833) is 3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is CC(C)(C)OCCC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCCOC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is KNQMKNJURGGFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O3/c1-18(2,3)29-10-8-15(27)25-17-23-13-6-7-14(19(20,21)22)24-16(13)26(17)12-5-4-9-28-11-12/h6-7,12H,4-5,8-11H2,1-3H3,(H,23,25,27).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 414.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-[3-(oxan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 90447833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).