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

C20H19FN6O2 — CID 22380258

IUPACmethyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)OC)cnc21
InChIInChI=1S/C20H19FN6O2/c1-3-8-27-17(25-15-10-13(20(28)29-2)11-23-19(15)27)12-26-9-7-22-18(26)14-5-4-6-16(21)24-14/h4-7,9-11H,3,8,12H2,1-2H3
InChIKeyOLKSDUZLTRIZON-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.07
Rot. Bonds6

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

methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 22380258) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate
PubChem CID22380258
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Namemethyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)OC)cnc21
InChIInChI=1S/C20H19FN6O2/c1-3-8-27-17(25-15-10-13(20(28)29-2)11-23-19(15)27)12-26-9-7-22-18(26)14-5-4-6-16(21)24-14/h4-7,9-11H,3,8,12H2,1-2H3
InChIKeyOLKSDUZLTRIZON-UHFFFAOYSA-N
XLogP3.07
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate (CID 22380258) is methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate is CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)OC)cnc21.
What is the InChIKey of methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is OLKSDUZLTRIZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-3-8-27-17(25-15-10-13(20(28)29-2)11-23-19(15)27)12-26-9-7-22-18(26)14-5-4-6-16(21)24-14/h4-7,9-11H,3,8,12H2,1-2H3.
What are the key properties of methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate?
methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 394.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 22380258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).