N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide

C18H18ClFN4O — CID 86290257

IUPACN-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)Cn1c(NC(=O)Cc2ccc(F)cc2)nc2ccc(Cl)nc21
InChIInChI=1S/C18H18ClFN4O/c1-11(2)10-24-17-14(7-8-15(19)22-17)21-18(24)23-16(25)9-12-3-5-13(20)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,23,25)
InChIKeyCBJJSCSNBPSLMY-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.06
Rot. Bonds5

About N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide

N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 86290257) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID86290257
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC NameN-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)Cn1c(NC(=O)Cc2ccc(F)cc2)nc2ccc(Cl)nc21
InChIInChI=1S/C18H18ClFN4O/c1-11(2)10-24-17-14(7-8-15(19)22-17)21-18(24)23-16(25)9-12-3-5-13(20)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,23,25)
InChIKeyCBJJSCSNBPSLMY-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.06
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-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (CID 86290257) is N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide is CC(C)Cn1c(NC(=O)Cc2ccc(F)cc2)nc2ccc(Cl)nc21.
What is the InChIKey of N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is CBJJSCSNBPSLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c1-11(2)10-24-17-14(7-8-15(19)22-17)21-18(24)23-16(25)9-12-3-5-13(20)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,23,25).
What are the key properties of N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 360.82 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 86290257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).