6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine

C17H15ClF3N7O2 — CID 164549056

IUPAC6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine
SMILESCOc1nc2c(-n3ccnc3)c(-c3n[nH]c(C(OC)C(F)(F)F)n3)n(C)c2cc1Cl
InChIInChI=1S/C17H15ClF3N7O2/c1-27-9-6-8(18)16(30-3)23-10(9)11(28-5-4-22-7-28)12(27)14-24-15(26-25-14)13(29-2)17(19,20)21/h4-7,13H,1-3H3,(H,24,25,26)
InChIKeyCMYPHCXNNMEUNM-UHFFFAOYSA-N
MW441.80 g/mol
LogP3.46
Rot. Bonds5

About 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine

6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine (PubChem CID 164549056) has the molecular formula C17H15ClF3N7O2 and a molecular weight of 441.80 g/mol. Its IUPAC name is 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine
PubChem CID164549056
Molecular FormulaC17H15ClF3N7O2
Molecular Weight441.80 g/mol
Exact Mass441.09
IUPAC Name6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine
SMILESCOc1nc2c(-n3ccnc3)c(-c3n[nH]c(C(OC)C(F)(F)F)n3)n(C)c2cc1Cl
InChIInChI=1S/C17H15ClF3N7O2/c1-27-9-6-8(18)16(30-3)23-10(9)11(28-5-4-22-7-28)12(27)14-24-15(26-25-14)13(29-2)17(19,20)21/h4-7,13H,1-3H3,(H,24,25,26)
InChIKeyCMYPHCXNNMEUNM-UHFFFAOYSA-N
XLogP3.46
TPSA95.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

US20240051954, Example 33
CID 164549019
US20240051954, Example 24
CID 164549022
US20240051954, Example 30
CID 164549035
US20240051954, Example 22
CID 164549037
US20240051954, Example 28
CID 164549041
US20240051954, Example 46
CID 164549074
US20240051954, Example 27
CID 164549077
US20240051954, Example 45
CID 164549081
US20240051954, Example 21
CID 164549094
US20240051954, Example 31
CID 164549110
US12404261, Example 124b
CID 164549142
US12404261, Example 98
CID 164549154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine (CID 164549056) is 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine is COc1nc2c(-n3ccnc3)c(-c3n[nH]c(C(OC)C(F)(F)F)n3)n(C)c2cc1Cl.
What is the InChIKey of 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine?
The InChIKey is CMYPHCXNNMEUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N7O2/c1-27-9-6-8(18)16(30-3)23-10(9)11(28-5-4-22-7-28)12(27)14-24-15(26-25-14)13(29-2)17(19,20)21/h4-7,13H,1-3H3,(H,24,25,26).
What are the key properties of 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine?
6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine has a molecular weight of 441.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-imidazol-1-yl-5-methoxy-1-methyl-2-[5-(2,2,2-trifluoro-1-methoxyethyl)-1H-1,2,4-triazol-3-yl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 164549056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).