N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide

C24H21F3N6O2 — CID 24829724

IUPACN-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H21F3N6O2/c1-15(34)29-10-11-33-22-19(31-21(23(33)35)17-5-3-9-28-14-17)7-8-20(32-22)30-13-16-4-2-6-18(12-16)24(25,26)27/h2-9,12,14H,10-11,13H2,1H3,(H,29,34)(H,30,32)
InChIKeyXHMGFTJVRQWJHO-UHFFFAOYSA-N
MW482.47 g/mol
LogP3.62
Rot. Bonds7

About N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide

N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24829724) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24829724
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC NameN-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H21F3N6O2/c1-15(34)29-10-11-33-22-19(31-21(23(33)35)17-5-3-9-28-14-17)7-8-20(32-22)30-13-16-4-2-6-18(12-16)24(25,26)27/h2-9,12,14H,10-11,13H2,1H3,(H,29,34)(H,30,32)
InChIKeyXHMGFTJVRQWJHO-UHFFFAOYSA-N
XLogP3.62
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24829724) is N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is CC(=O)NCCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is XHMGFTJVRQWJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-15(34)29-10-11-33-22-19(31-21(23(33)35)17-5-3-9-28-14-17)7-8-20(32-22)30-13-16-4-2-6-18(12-16)24(25,26)27/h2-9,12,14H,10-11,13H2,1H3,(H,29,34)(H,30,32).
What are the key properties of N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 482.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-oxo-2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24829724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).