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

C19H20ClFN4O2 — CID 90447857

IUPACN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN4O2/c1-19(2,3)27-11-10-16(26)24-18-22-14-8-9-15(20)23-17(14)25(18)13-6-4-12(21)5-7-13/h4-9H,10-11H2,1-3H3,(H,22,24,26)
InChIKeyYOPCSKVJUKSZFA-UHFFFAOYSA-N
MW390.85 g/mol
LogP4.36
Rot. Bonds5

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

N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 90447857) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID90447857
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC NameN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN4O2/c1-19(2,3)27-11-10-16(26)24-18-22-14-8-9-15(20)23-17(14)25(18)13-6-4-12(21)5-7-13/h4-9H,10-11H2,1-3H3,(H,22,24,26)
InChIKeyYOPCSKVJUKSZFA-UHFFFAOYSA-N
XLogP4.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 54.36
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-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 90447857) is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)OCCC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1.
What is the InChIKey of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is YOPCSKVJUKSZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c1-19(2,3)27-11-10-16(26)24-18-22-14-8-9-15(20)23-17(14)25(18)13-6-4-12(21)5-7-13/h4-9H,10-11H2,1-3H3,(H,22,24,26).
What are the key properties of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 390.85 g/mol, XLogP of 4.36, 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-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 90447857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).