5-amino-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

C24H17F3N6O3 — CID 158059101

IUPAC5-amino-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
SMILESNc1cc(C(=O)NCc2noc(C3=CCc4ncccc43)n2)c(=O)n(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C24H17F3N6O3/c25-17-6-12(7-18(26)21(17)27)10-33-11-13(28)8-16(24(33)35)22(34)30-9-20-31-23(36-32-20)15-3-4-19-14(15)2-1-5-29-19/h1-3,5-8,11H,4,9-10,28H2,(H,30,34)
InChIKeyFBHWEGVYWLCPDR-UHFFFAOYSA-N
MW494.43 g/mol
LogP2.59
Rot. Bonds6

About 5-amino-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

5-amino-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 158059101) has the molecular formula C24H17F3N6O3 and a molecular weight of 494.43 g/mol. Its IUPAC name is 5-amino-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 Name5-amino-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 CID158059101
Molecular FormulaC24H17F3N6O3
Molecular Weight494.43 g/mol
Exact Mass494.13
IUPAC Name5-amino-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
SMILESNc1cc(C(=O)NCc2noc(C3=CCc4ncccc43)n2)c(=O)n(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C24H17F3N6O3/c25-17-6-12(7-18(26)21(17)27)10-33-11-13(28)8-16(24(33)35)22(34)30-9-20-31-23(36-32-20)15-3-4-19-14(15)2-1-5-29-19/h1-3,5-8,11H,4,9-10,28H2,(H,30,34)
InChIKeyFBHWEGVYWLCPDR-UHFFFAOYSA-N
XLogP2.59
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-amino-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-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)-N-methylisonicotinamide
CID 10180091
(S)-(2,4-difluorophenyl)(3-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 15948583
2-(2-Amino-3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-5-(3,5-difluorophenyl)cyclohex-1-enecarboxylic acid
CID 17751630
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-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 5-amino-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 158059101) is 5-amino-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 5-amino-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 5-amino-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 Nc1cc(C(=O)NCc2noc(C3=CCc4ncccc43)n2)c(=O)n(Cc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 5-amino-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 FBHWEGVYWLCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O3/c25-17-6-12(7-18(26)21(17)27)10-33-11-13(28)8-16(24(33)35)22(34)30-9-20-31-23(36-32-20)15-3-4-19-14(15)2-1-5-29-19/h1-3,5-8,11H,4,9-10,28H2,(H,30,34).
What are the key properties of 5-amino-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?
5-amino-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 494.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-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 158059101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).