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

C18H23F3N4O2 — CID 90447839

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C18H23F3N4O2/c1-17(2,3)27-10-9-14(26)24-16-22-12-7-8-13(18(19,20)21)23-15(12)25(16)11-5-4-6-11/h7-8,11H,4-6,9-10H2,1-3H3,(H,22,24,26)
InChIKeyWLSJVLRAMXHZQJ-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.32
Rot. Bonds5

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

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 90447839) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID90447839
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C18H23F3N4O2/c1-17(2,3)27-10-9-14(26)24-16-22-12-7-8-13(18(19,20)21)23-15(12)25(16)11-5-4-6-11/h7-8,11H,4-6,9-10H2,1-3H3,(H,22,24,26)
InChIKeyWLSJVLRAMXHZQJ-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 90447839) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)OCCC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is WLSJVLRAMXHZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-17(2,3)27-10-9-14(26)24-16-22-12-7-8-13(18(19,20)21)23-15(12)25(16)11-5-4-6-11/h7-8,11H,4-6,9-10H2,1-3H3,(H,22,24,26).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 384.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 90447839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).