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

C15H18ClF3N4O2 — CID 90447829

IUPACN-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F
InChIInChI=1S/C15H18ClF3N4O2/c1-14(2,3)25-7-6-11(24)22-13-20-9-4-5-10(16)21-12(9)23(13)8-15(17,18)19/h4-5H,6-8H2,1-3H3,(H,20,22,24)
InChIKeySFEOWQLCLVZPOH-UHFFFAOYSA-N
MW378.78 g/mol
LogP3.79
Rot. Bonds5

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

N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 90447829) has the molecular formula C15H18ClF3N4O2 and a molecular weight of 378.78 g/mol. Its IUPAC name is N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID90447829
Molecular FormulaC15H18ClF3N4O2
Molecular Weight378.78 g/mol
Exact Mass378.11
IUPAC NameN-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F
InChIInChI=1S/C15H18ClF3N4O2/c1-14(2,3)25-7-6-11(24)22-13-20-9-4-5-10(16)21-12(9)23(13)8-15(17,18)19/h4-5H,6-8H2,1-3H3,(H,20,22,24)
InChIKeySFEOWQLCLVZPOH-UHFFFAOYSA-N
XLogP3.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 90447829) is N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)OCCC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F.
What is the InChIKey of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is SFEOWQLCLVZPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N4O2/c1-14(2,3)25-7-6-11(24)22-13-20-9-4-5-10(16)21-12(9)23(13)8-15(17,18)19/h4-5H,6-8H2,1-3H3,(H,20,22,24).
What are the key properties of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 378.78 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 90447829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).