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

C17H12FN5O — CID 146815842

IUPAC2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(Cc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1)c1ncn[nH]1
InChIInChI=1S/C17H12FN5O/c18-13-3-1-11(2-4-13)14-7-12-5-10(8-19-16(12)22-14)6-15(24)17-20-9-21-23-17/h1-5,7-9H,6H2,(H,19,22)(H,20,21,23)
InChIKeySBBLSVRLBVNMIG-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.91
Rot. Bonds4

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

2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone (PubChem CID 146815842) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone
PubChem CID146815842
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(Cc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1)c1ncn[nH]1
InChIInChI=1S/C17H12FN5O/c18-13-3-1-11(2-4-13)14-7-12-5-10(8-19-16(12)22-14)6-15(24)17-20-9-21-23-17/h1-5,7-9H,6H2,(H,19,22)(H,20,21,23)
InChIKeySBBLSVRLBVNMIG-UHFFFAOYSA-N
XLogP2.91
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.91
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-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
CID 149028439
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
2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 86727993
1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 157209077
2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride
CID 86728040
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-propan-2-ylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 65363327
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)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 76683822

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone (CID 146815842) is 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone is O=C(Cc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1)c1ncn[nH]1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone?
The InChIKey is SBBLSVRLBVNMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-13-3-1-11(2-4-13)14-7-12-5-10(8-19-16(12)22-14)6-15(24)17-20-9-21-23-17/h1-5,7-9H,6H2,(H,19,22)(H,20,21,23).
What are the key properties of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone?
2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone has a molecular weight of 321.32 g/mol, XLogP of 2.91, 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-(1H-1,2,4-triazol-5-yl)ethanone is sourced from PubChem (CID 146815842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).