N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

C24H16F3N5O3 — CID 157077173

IUPACN-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C24H16F3N5O3/c25-17-9-13(10-18(26)21(17)27)12-32-8-2-4-16(24(32)34)22(33)29-11-20-30-23(35-31-20)15-5-6-19-14(15)3-1-7-28-19/h1-5,7-10H,6,11-12H2,(H,29,33)
InChIKeyADCJKSBGSVSUFD-UHFFFAOYSA-N
MW479.42 g/mol
LogP3.01
Rot. Bonds6

About N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 157077173) has the molecular formula C24H16F3N5O3 and a molecular weight of 479.42 g/mol. Its IUPAC name is N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID157077173
Molecular FormulaC24H16F3N5O3
Molecular Weight479.42 g/mol
Exact Mass479.12
IUPAC NameN-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C24H16F3N5O3/c25-17-9-13(10-18(26)21(17)27)12-32-8-2-4-16(24(32)34)22(33)29-11-20-30-23(35-31-20)15-5-6-19-14(15)3-1-7-28-19/h1-5,7-10H,6,11-12H2,(H,29,33)
InChIKeyADCJKSBGSVSUFD-UHFFFAOYSA-N
XLogP3.01
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide 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
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
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(4-(trifluoromethyl)phenyl)piperidine-1-carboxamide
CID 44236320
(R)-3-amino-1-((S)-2-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487945
N-[1-[benzyl(methyl)amino]propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
CID 71577194
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
US9670193, 23 (R)-N-(1-(diethylamino)propan-2-yl)-6-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)nicotinamide
CID 73347611
US9670193, 21 (R)-N-(1-(benzyl(methyl)amino)propan-2-yl)-6-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)nicotinamide
CID 73356727
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide
CID 1950548

Frequently Asked Questions

What is the IUPAC name of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 157077173) is N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.
What is the InChIKey of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ADCJKSBGSVSUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O3/c25-17-9-13(10-18(26)21(17)27)12-32-8-2-4-16(24(32)34)22(33)29-11-20-30-23(35-31-20)15-5-6-19-14(15)3-1-7-28-19/h1-5,7-10H,6,11-12H2,(H,29,33).
What are the key properties of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 157077173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).