5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide

C23H16ClFN6O3 — CID 135899030

IUPAC5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cc(Cl)cn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C23H16ClFN6O3/c24-14-8-17(23(33)31(12-14)11-13-3-5-15(25)6-4-13)21(32)28-10-19-29-22(34-30-19)18-9-27-20-16(18)2-1-7-26-20/h1-9,12H,10-11H2,(H,26,27)(H,28,32)
InChIKeyOPXHQHAITOZYEO-UHFFFAOYSA-N
MW478.87 g/mol
LogP3.55
Rot. Bonds6

About 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide

5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 135899030) has the molecular formula C23H16ClFN6O3 and a molecular weight of 478.87 g/mol. Its IUPAC name is 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
PubChem CID135899030
Molecular FormulaC23H16ClFN6O3
Molecular Weight478.87 g/mol
Exact Mass478.10
IUPAC Name5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cc(Cl)cn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C23H16ClFN6O3/c24-14-8-17(23(33)31(12-14)11-13-3-5-15(25)6-4-13)21(32)28-10-19-29-22(34-30-19)18-9-27-20-16(18)2-1-7-26-20/h1-9,12H,10-11H2,(H,26,27)(H,28,32)
InChIKeyOPXHQHAITOZYEO-UHFFFAOYSA-N
XLogP3.55
TPSA118.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide (CID 135899030) is 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide is O=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cc(Cl)cn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is OPXHQHAITOZYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6O3/c24-14-8-17(23(33)31(12-14)11-13-3-5-15(25)6-4-13)21(32)28-10-19-29-22(34-30-19)18-9-27-20-16(18)2-1-7-26-20/h1-9,12H,10-11H2,(H,26,27)(H,28,32).
What are the key properties of 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide?
5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 478.87 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 135899030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).