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

C18H12ClFN4O — CID 118692613

IUPACN-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2ccc(Cl)nc2n1C1=CC=C1
InChIInChI=1S/C18H12ClFN4O/c19-15-9-8-14-17(22-15)24(13-2-1-3-13)18(21-14)23-16(25)10-11-4-6-12(20)7-5-11/h1-9H,10H2,(H,21,23,25)
InChIKeyWFCHNORGAAIVSF-UHFFFAOYSA-N
MW354.77 g/mol
LogP3.82
Rot. Bonds4

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

N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 118692613) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID118692613
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC NameN-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2ccc(Cl)nc2n1C1=CC=C1
InChIInChI=1S/C18H12ClFN4O/c19-15-9-8-14-17(22-15)24(13-2-1-3-13)18(21-14)23-16(25)10-11-4-6-12(20)7-5-11/h1-9H,10H2,(H,21,23,25)
InChIKeyWFCHNORGAAIVSF-UHFFFAOYSA-N
XLogP3.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 53.82
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-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (CID 118692613) is N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nc2ccc(Cl)nc2n1C1=CC=C1.
What is the InChIKey of N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is WFCHNORGAAIVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c19-15-9-8-14-17(22-15)24(13-2-1-3-13)18(21-14)23-16(25)10-11-4-6-12(20)7-5-11/h1-9H,10H2,(H,21,23,25).
What are the key properties of N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 354.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 118692613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).