N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C15H18ClF3N4O — CID 90447811

IUPACN-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCc1cc2nc(NC(=O)CC(C)(C)C)n(CC(F)(F)F)c2nc1Cl
InChIInChI=1S/C15H18ClF3N4O/c1-8-5-9-12(22-11(8)16)23(7-15(17,18)19)13(20-9)21-10(24)6-14(2,3)4/h5H,6-7H2,1-4H3,(H,20,21,24)
InChIKeyAFXXXIIDRBHNKA-UHFFFAOYSA-N
MW362.78 g/mol
LogP4.33
Rot. Bonds3

About N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 90447811) has the molecular formula C15H18ClF3N4O and a molecular weight of 362.78 g/mol. Its IUPAC name is N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID90447811
Molecular FormulaC15H18ClF3N4O
Molecular Weight362.78 g/mol
Exact Mass362.11
IUPAC NameN-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCc1cc2nc(NC(=O)CC(C)(C)C)n(CC(F)(F)F)c2nc1Cl
InChIInChI=1S/C15H18ClF3N4O/c1-8-5-9-12(22-11(8)16)23(7-15(17,18)19)13(20-9)21-10(24)6-14(2,3)4/h5H,6-7H2,1-4H3,(H,20,21,24)
InChIKeyAFXXXIIDRBHNKA-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 90447811) is N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is Cc1cc2nc(NC(=O)CC(C)(C)C)n(CC(F)(F)F)c2nc1Cl.
What is the InChIKey of N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is AFXXXIIDRBHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N4O/c1-8-5-9-12(22-11(8)16)23(7-15(17,18)19)13(20-9)21-10(24)6-14(2,3)4/h5H,6-7H2,1-4H3,(H,20,21,24).
What are the key properties of N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 362.78 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 90447811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).