5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine

C22H17N5O — CID 167504578

IUPAC5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine
SMILESc1ccc(Cc2nc(-c3cccc(Oc4ccc5[nH]ccc5n4)c3)n[nH]2)cc1
InChIInChI=1S/C22H17N5O/c1-2-5-15(6-3-1)13-20-25-22(27-26-20)16-7-4-8-17(14-16)28-21-10-9-18-19(24-21)11-12-23-18/h1-12,14,23H,13H2,(H,25,26,27)
InChIKeyWRSWNAUTRLTRCX-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.73
Rot. Bonds5

About 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine

5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 167504578) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine
PubChem CID167504578
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine
SMILESc1ccc(Cc2nc(-c3cccc(Oc4ccc5[nH]ccc5n4)c3)n[nH]2)cc1
InChIInChI=1S/C22H17N5O/c1-2-5-15(6-3-1)13-20-25-22(27-26-20)16-7-4-8-17(14-16)28-21-10-9-18-19(24-21)11-12-23-18/h1-12,14,23H,13H2,(H,25,26,27)
InChIKeyWRSWNAUTRLTRCX-UHFFFAOYSA-N
XLogP4.73
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

2-[5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-indol-4-yl]acetic acid
CID 167504521
7-[3-[[3-[3-(1H-indol-5-yloxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]phenyl]heptanoic acid
CID 167505454
2-[5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-indol-4-yl]-N-(trifluoromethylsulfanyl)acetamide
CID 167504747
3-(5-benzyl-1H-1,2,4-triazol-3-yl)aniline
CID 82568454
2-[3-[[3-[3-[(4,6-difluoro-1H-indol-5-yl)oxy]phenyl]-1H-1,2,4-triazol-5-yl]methyl]phenyl]sulfanylacetic acid
CID 167505801
4-(5-benzyl-1H-1,2,4-triazol-3-yl)phenol
CID 918324
5-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole
CID 912792
5-[(3,4-dimethylphenyl)methyl]-3-phenyl-1H-1,2,4-triazole
CID 62539638
5-(chloromethyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 79601243
3-[5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 66487173
methyl 5-[3-(5-benzoyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-indole-4-carboxylate
CID 167504668
2-methoxy-6-[4-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyrimidin-4-amine
CID 121260591

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine (CID 167504578) is 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine is c1ccc(Cc2nc(-c3cccc(Oc4ccc5[nH]ccc5n4)c3)n[nH]2)cc1.
What is the InChIKey of 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is WRSWNAUTRLTRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-2-5-15(6-3-1)13-20-25-22(27-26-20)16-7-4-8-17(14-16)28-21-10-9-18-19(24-21)11-12-23-18/h1-12,14,23H,13H2,(H,25,26,27).
What are the key properties of 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine?
5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 367.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 167504578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).