N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide

C17H20F6N4O2 — CID 130361770

IUPACN-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C(C)(C)C)CC(F)(F)F
InChIInChI=1S/C17H20F6N4O2/c1-14(2,3)27-12-9(5-6-10(25-12)17(21,22)23)24-13(27)26-11(28)7-15(4,29)8-16(18,19)20/h5-6,29H,7-8H2,1-4H3,(H,24,26,28)
InChIKeyQPWJVQQJHFDYLQ-UHFFFAOYSA-N
MW426.36 g/mol
LogP4.24
Rot. Bonds4

About N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide

N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide (PubChem CID 130361770) has the molecular formula C17H20F6N4O2 and a molecular weight of 426.36 g/mol. Its IUPAC name is N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide.

Molecular Properties

Compound NameN-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
PubChem CID130361770
Molecular FormulaC17H20F6N4O2
Molecular Weight426.36 g/mol
Exact Mass426.15
IUPAC NameN-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C(C)(C)C)CC(F)(F)F
InChIInChI=1S/C17H20F6N4O2/c1-14(2,3)27-12-9(5-6-10(25-12)17(21,22)23)24-13(27)26-11(28)7-15(4,29)8-16(18,19)20/h5-6,29H,7-8H2,1-4H3,(H,24,26,28)
InChIKeyQPWJVQQJHFDYLQ-UHFFFAOYSA-N
XLogP4.24
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
The IUPAC name of N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide (CID 130361770) is N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide.
What is the SMILES notation for N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
The canonical SMILES for N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide is CC(O)(CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C(C)(C)C)CC(F)(F)F.
What is the InChIKey of N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
The InChIKey is QPWJVQQJHFDYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N4O2/c1-14(2,3)27-12-9(5-6-10(25-12)17(21,22)23)24-13(27)26-11(28)7-15(4,29)8-16(18,19)20/h5-6,29H,7-8H2,1-4H3,(H,24,26,28).
What are the key properties of N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide?
N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide has a molecular weight of 426.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide is sourced from PubChem (CID 130361770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).