6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine

C14H11ClFN7O — CID 164549019

IUPAC6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine
SMILESCOc1nc2c(-n3ccnc3)c(-c3n[nH]c(F)n3)n(C)c2cc1Cl
InChIInChI=1S/C14H11ClFN7O/c1-22-8-5-7(15)13(24-2)18-9(8)10(23-4-3-17-6-23)11(22)12-19-14(16)21-20-12/h3-6H,1-2H3,(H,19,20,21)
InChIKeyRZWLEFUGFDVWFJ-UHFFFAOYSA-N
MW347.74 g/mol
LogP2.35
Rot. Bonds3

About 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine

6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine (PubChem CID 164549019) has the molecular formula C14H11ClFN7O and a molecular weight of 347.74 g/mol. Its IUPAC name is 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine
PubChem CID164549019
Molecular FormulaC14H11ClFN7O
Molecular Weight347.74 g/mol
Exact Mass347.07
IUPAC Name6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine
SMILESCOc1nc2c(-n3ccnc3)c(-c3n[nH]c(F)n3)n(C)c2cc1Cl
InChIInChI=1S/C14H11ClFN7O/c1-22-8-5-7(15)13(24-2)18-9(8)10(23-4-3-17-6-23)11(22)12-19-14(16)21-20-12/h3-6H,1-2H3,(H,19,20,21)
InChIKeyRZWLEFUGFDVWFJ-UHFFFAOYSA-N
XLogP2.35
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine?
The IUPAC name of 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine (CID 164549019) is 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine is COc1nc2c(-n3ccnc3)c(-c3n[nH]c(F)n3)n(C)c2cc1Cl.
What is the InChIKey of 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine?
The InChIKey is RZWLEFUGFDVWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN7O/c1-22-8-5-7(15)13(24-2)18-9(8)10(23-4-3-17-6-23)11(22)12-19-14(16)21-20-12/h3-6H,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine?
6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine has a molecular weight of 347.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-fluoro-1H-1,2,4-triazol-3-yl)-3-imidazol-1-yl-5-methoxy-1-methylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 164549019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).