3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide

C16H21F3N4O — CID 86290354

IUPAC3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC(C)CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1CC(C)C
InChIInChI=1S/C16H21F3N4O/c1-9(2)7-13(24)22-15-20-11-5-6-12(16(17,18)19)21-14(11)23(15)8-10(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,20,22,24)
InChIKeyPUOKVRPXTDQGHJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.09
Rot. Bonds5

About 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide

3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 86290354) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID86290354
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC(C)CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1CC(C)C
InChIInChI=1S/C16H21F3N4O/c1-9(2)7-13(24)22-15-20-11-5-6-12(16(17,18)19)21-14(11)23(15)8-10(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,20,22,24)
InChIKeyPUOKVRPXTDQGHJ-UHFFFAOYSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide (CID 86290354) is 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide is CC(C)CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1CC(C)C.
What is the InChIKey of 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is PUOKVRPXTDQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-9(2)7-13(24)22-15-20-11-5-6-12(16(17,18)19)21-14(11)23(15)8-10(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,20,22,24).
What are the key properties of 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 342.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 86290354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).