3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one

C25H18F2N4O3 — CID 149010932

IUPAC3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one
SMILESO=C(CCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C25H18F2N4O3/c26-19-7-5-15(13-20(19)27)14-31-12-2-4-18(25(31)33)22(32)9-10-23-29-24(34-30-23)17-6-8-21-16(17)3-1-11-28-21/h1-7,11-13H,8-10,14H2
InChIKeyQBNBUYVUFVIOKJ-UHFFFAOYSA-N
MW460.44 g/mol
LogP3.76
Rot. Bonds7

About 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one

3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one (PubChem CID 149010932) has the molecular formula C25H18F2N4O3 and a molecular weight of 460.44 g/mol. Its IUPAC name is 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one
PubChem CID149010932
Molecular FormulaC25H18F2N4O3
Molecular Weight460.44 g/mol
Exact Mass460.13
IUPAC Name3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one
SMILESO=C(CCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C25H18F2N4O3/c26-19-7-5-15(13-20(19)27)14-31-12-2-4-18(25(31)33)22(32)9-10-23-29-24(34-30-23)17-6-8-21-16(17)3-1-11-28-21/h1-7,11-13H,8-10,14H2
InChIKeyQBNBUYVUFVIOKJ-UHFFFAOYSA-N
XLogP3.76
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one with MolForge

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Related Compounds

3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610
5Pam523
CID 46946406
5-(2-Fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2876920
5-(3-Fluorophenyl)-3-(4-pyridyl)-1,2,4-oxadiazole
CID 1504248
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880
(S)-(2,4-difluorophenyl)(3-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 15948583
7-Phenyl-1-(5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl)-heptan-1-one
CID 24951156
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide
CID 72700096
(1-{[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-3-piperidinyl)(2-pyridinyl)methanone
CID 16190198
5-(3,4-Difluorophenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 145981292
5-(3,4-Difluorophenyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 145992258

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one (CID 149010932) is 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one is O=C(CCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one?
The InChIKey is QBNBUYVUFVIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O3/c26-19-7-5-15(13-20(19)27)14-31-12-2-4-18(25(31)33)22(32)9-10-23-29-24(34-30-23)17-6-8-21-16(17)3-1-11-28-21/h1-7,11-13H,8-10,14H2.
What are the key properties of 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one?
3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one has a molecular weight of 460.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 149010932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).