1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone

C20H19FN6O — CID 20811907

IUPAC1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(C)=O)cnc21
InChIInChI=1S/C20H19FN6O/c1-3-8-27-18(25-16-10-14(13(2)28)11-23-20(16)27)12-26-9-7-22-19(26)15-5-4-6-17(21)24-15/h4-7,9-11H,3,8,12H2,1-2H3
InChIKeyTXTITYRWFWFFBW-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.49
Rot. Bonds6

About 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone

1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone (PubChem CID 20811907) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone
PubChem CID20811907
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(C)=O)cnc21
InChIInChI=1S/C20H19FN6O/c1-3-8-27-18(25-16-10-14(13(2)28)11-23-20(16)27)12-26-9-7-22-19(26)15-5-4-6-17(21)24-15/h4-7,9-11H,3,8,12H2,1-2H3
InChIKeyTXTITYRWFWFFBW-UHFFFAOYSA-N
XLogP3.49
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone?
The IUPAC name of 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone (CID 20811907) is 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone is CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(C)=O)cnc21.
What is the InChIKey of 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone?
The InChIKey is TXTITYRWFWFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-3-8-27-18(25-16-10-14(13(2)28)11-23-20(16)27)12-26-9-7-22-19(26)15-5-4-6-17(21)24-15/h4-7,9-11H,3,8,12H2,1-2H3.
What are the key properties of 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone?
1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone has a molecular weight of 378.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 20811907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).