5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

C22H21ClF2N6O3 — CID 134456830

IUPAC5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1noc(C)n1
InChIInChI=1S/C22H21ClF2N6O3/c1-11-26-20(30-34-11)12-6-5-7-13(18(12)32-2)27-14-10-15(23)28-21-17(14)29-22(19(24)25)31(21)16-8-3-4-9-33-16/h5-7,10,16,19H,3-4,8-9H2,1-2H3,(H,27,28)
InChIKeyDMBLGBPSYXZONL-UHFFFAOYSA-N
MW490.90 g/mol
LogP5.83
Rot. Bonds6

About 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134456830) has the molecular formula C22H21ClF2N6O3 and a molecular weight of 490.90 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
PubChem CID134456830
Molecular FormulaC22H21ClF2N6O3
Molecular Weight490.90 g/mol
Exact Mass490.13
IUPAC Name5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1noc(C)n1
InChIInChI=1S/C22H21ClF2N6O3/c1-11-26-20(30-34-11)12-6-5-7-13(18(12)32-2)27-14-10-15(23)28-21-17(14)29-22(19(24)25)31(21)16-8-3-4-9-33-16/h5-7,10,16,19H,3-4,8-9H2,1-2H3,(H,27,28)
InChIKeyDMBLGBPSYXZONL-UHFFFAOYSA-N
XLogP5.83
TPSA100.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.90
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134456830) is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1noc(C)n1.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is DMBLGBPSYXZONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N6O3/c1-11-26-20(30-34-11)12-6-5-7-13(18(12)32-2)27-14-10-15(23)28-21-17(14)29-22(19(24)25)31(21)16-8-3-4-9-33-16/h5-7,10,16,19H,3-4,8-9H2,1-2H3,(H,27,28).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 490.90 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134456830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).