1-[(4-chloro-3-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 135899031

IUPAC1-[(4-chloro-3-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)c1cccn(Cc2ccc(Cl)c(F)c2)c1=O
InChIInChI=1S/C23H16ClFN6O3/c24-17-6-5-13(9-18(17)25)12-31-8-2-4-15(23(31)33)21(32)28-11-19-29-22(34-30-19)16-10-27-20-14(16)3-1-7-26-20/h1-10H,11-12H2,(H,26,27)(H,28,32)
InChIKeyQDNQCRSMNIPMKO-UHFFFAOYSA-N
MW478.87 g/mol
LogP3.55
Rot. Bonds6

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

1-[(4-chloro-3-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 135899031) has the molecular formula C23H16ClFN6O3 and a molecular weight of 478.87 g/mol. Its IUPAC name is 1-[(4-chloro-3-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 Name1-[(4-chloro-3-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 CID135899031
Molecular FormulaC23H16ClFN6O3
Molecular Weight478.87 g/mol
Exact Mass478.10
IUPAC Name1-[(4-chloro-3-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)c1cccn(Cc2ccc(Cl)c(F)c2)c1=O
InChIInChI=1S/C23H16ClFN6O3/c24-17-6-5-13(9-18(17)25)12-31-8-2-4-15(23(31)33)21(32)28-11-19-29-22(34-30-19)16-10-27-20-14(16)3-1-7-26-20/h1-10H,11-12H2,(H,26,27)(H,28,32)
InChIKeyQDNQCRSMNIPMKO-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

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

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Related Compounds

2-Chloro-4-fluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892963
2-Chloro-5-fluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892969
[3-(3-Methyl-1,2,4-oxadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-(3-methylphenyl)methanone
CID 145979786
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
2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 136203255
2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 136203259
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 136203263
1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 136203264
2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 136203266
5-chloro-1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 136203267
5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 136203268
1-[(1S)-1-(4-fluorophenyl)ethyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 136203272

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-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 1-[(4-chloro-3-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 135899031) is 1-[(4-chloro-3-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 1-[(4-chloro-3-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 1-[(4-chloro-3-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)c1cccn(Cc2ccc(Cl)c(F)c2)c1=O.
What is the InChIKey of 1-[(4-chloro-3-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 QDNQCRSMNIPMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6O3/c24-17-6-5-13(9-18(17)25)12-31-8-2-4-15(23(31)33)21(32)28-11-19-29-22(34-30-19)16-10-27-20-14(16)3-1-7-26-20/h1-10H,11-12H2,(H,26,27)(H,28,32).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide?
1-[(4-chloro-3-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 1-[(4-chloro-3-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 135899031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).