1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one

C20H16FN3O2 — CID 147239478

IUPAC1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one
SMILESO=C(CCc1ncco1)Cc1cc2c(cn1)C(c1ccc(F)cc1)=NC2
InChIInChI=1S/C20H16FN3O2/c21-15-3-1-13(2-4-15)20-18-12-23-16(9-14(18)11-24-20)10-17(25)5-6-19-22-7-8-26-19/h1-4,7-9,12H,5-6,10-11H2
InChIKeyCKMHSNSWZWGPAM-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.30
Rot. Bonds6

About 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one

1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one (PubChem CID 147239478) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one
PubChem CID147239478
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one
SMILESO=C(CCc1ncco1)Cc1cc2c(cn1)C(c1ccc(F)cc1)=NC2
InChIInChI=1S/C20H16FN3O2/c21-15-3-1-13(2-4-15)20-18-12-23-16(9-14(18)11-24-20)10-17(25)5-6-19-22-7-8-26-19/h1-4,7-9,12H,5-6,10-11H2
InChIKeyCKMHSNSWZWGPAM-UHFFFAOYSA-N
XLogP3.30
TPSA68.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one with MolForge

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Related Compounds

7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
7-(2-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736627
7-(4-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736628
3-(4-Phenylphenyl)-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
CID 44453052
1-(5-(4-Fluoropyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110654
7-Phenyl-1-(4-(pyridin-2-yl)oxazol-2-yl)heptan-1-one
CID 44554611
7-Phenyl-1-(4-(pyridin-3-yl)oxazol-2-yl)heptan-1-one
CID 44554612
7-Phenyl-1-(4-(pyridin-4-yl)oxazol-2-yl)heptan-1-one
CID 44554613
(5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 164631506
2-[3-(2-Fluorophenyl)-1-methylpyridin-1-ium-2-yl]-1,3-oxazole
CID 20187083
1-[3-(2-Fluoro-4-methylphenyl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-(1,3-oxazol-2-yl)propan-1-one
CID 58096153
2-[5-[2-[(4-Fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 58119366

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one (CID 147239478) is 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one is O=C(CCc1ncco1)Cc1cc2c(cn1)C(c1ccc(F)cc1)=NC2.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one?
The InChIKey is CKMHSNSWZWGPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-15-3-1-13(2-4-15)20-18-12-23-16(9-14(18)11-24-20)10-17(25)5-6-19-22-7-8-26-19/h1-4,7-9,12H,5-6,10-11H2.
What are the key properties of 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one?
1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one has a molecular weight of 349.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one is sourced from PubChem (CID 147239478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).