N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide

C23H20ClFN6O2 — CID 24829560

IUPACN-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3ccc(F)c(Cl)c3)nc21
InChIInChI=1S/C23H20ClFN6O2/c1-14(32)27-9-10-31-22-19(29-21(23(31)33)16-3-2-8-26-13-16)6-7-20(30-22)28-12-15-4-5-18(25)17(24)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,27,32)(H,28,30)
InChIKeyXJFLMHKMZJEILW-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.39
Rot. Bonds7

About N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide

N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24829560) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24829560
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC NameN-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3ccc(F)c(Cl)c3)nc21
InChIInChI=1S/C23H20ClFN6O2/c1-14(32)27-9-10-31-22-19(29-21(23(31)33)16-3-2-8-26-13-16)6-7-20(30-22)28-12-15-4-5-18(25)17(24)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,27,32)(H,28,30)
InChIKeyXJFLMHKMZJEILW-UHFFFAOYSA-N
XLogP3.39
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24829560) is N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is CC(=O)NCCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3ccc(F)c(Cl)c3)nc21.
What is the InChIKey of N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is XJFLMHKMZJEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c1-14(32)27-9-10-31-22-19(29-21(23(31)33)16-3-2-8-26-13-16)6-7-20(30-22)28-12-15-4-5-18(25)17(24)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,27,32)(H,28,30).
What are the key properties of N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 466.90 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24829560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).