[6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C21H16FN3O — CID 58087207

IUPAC[6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1ccc(CCc2ccc(F)cc2)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C21H16FN3O/c22-16-7-3-14(4-8-16)5-9-17-10-6-15(12-24-17)20(26)19-13-25-21-18(19)2-1-11-23-21/h1-4,6-8,10-13H,5,9H2,(H,23,25)
InChIKeyMGMZSHDVZACBHF-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.11
Rot. Bonds5

About [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 58087207) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID58087207
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name[6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1ccc(CCc2ccc(F)cc2)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C21H16FN3O/c22-16-7-3-14(4-8-16)5-9-17-10-6-15(12-24-17)20(26)19-13-25-21-18(19)2-1-11-23-21/h1-4,6-8,10-13H,5,9H2,(H,23,25)
InChIKeyMGMZSHDVZACBHF-UHFFFAOYSA-N
XLogP4.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Plx8394
CID 90116675
Plx4032
CID 53438230
3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone
CID 5311136
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-pyridyl)-1H-indole-7-carboxamide
CID 507860
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280164
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958791
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)-
CID 5327622
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 58087207) is [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1ccc(CCc2ccc(F)cc2)nc1)c1c[nH]c2ncccc12.
What is the InChIKey of [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is MGMZSHDVZACBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-16-7-3-14(4-8-16)5-9-17-10-6-15(12-24-17)20(26)19-13-25-21-18(19)2-1-11-23-21/h1-4,6-8,10-13H,5,9H2,(H,23,25).
What are the key properties of [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 345.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 58087207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).