2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone

C18H14FN5O — CID 149028439

IUPAC2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
SMILESCc1nc(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n[nH]1
InChIInChI=1S/C18H14FN5O/c1-10-21-18(24-23-10)16(25)7-11-6-13-8-15(22-17(13)20-9-11)12-2-4-14(19)5-3-12/h2-6,8-9H,7H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyQEWFALCVGPCYMZ-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.22
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone

2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone (PubChem CID 149028439) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
PubChem CID149028439
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
SMILESCc1nc(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n[nH]1
InChIInChI=1S/C18H14FN5O/c1-10-21-18(24-23-10)16(25)7-11-6-13-8-15(22-17(13)20-9-11)12-2-4-14(19)5-3-12/h2-6,8-9H,7H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyQEWFALCVGPCYMZ-UHFFFAOYSA-N
XLogP3.22
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 146815842
2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone
CID 147121441
2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone
CID 158118668
N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide
CID 147588258
1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 157209077
1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-ethynyl-3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 159971708
2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 76683822
1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 159754519
2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 71277568
2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 118466697
2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 86727993
2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride
CID 86728040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone (CID 149028439) is 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone is Cc1nc(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n[nH]1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone?
The InChIKey is QEWFALCVGPCYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-10-21-18(24-23-10)16(25)7-11-6-13-8-15(22-17(13)20-9-11)12-2-4-14(19)5-3-12/h2-6,8-9H,7H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone?
2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone has a molecular weight of 335.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 149028439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).