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

C25H23F3N6O3 — CID 44573270

IUPACN-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cc(C(F)(F)F)ccn4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C25H23F3N6O3/c1-15(35)29-11-12-34-23-20(32-22(24(34)36)16-3-5-19(37-2)6-4-16)7-8-21(33-23)31-14-18-13-17(9-10-30-18)25(26,27)28/h3-10,13H,11-12,14H2,1-2H3,(H,29,35)(H,31,33)
InChIKeyMQCJMILDOYNHBF-UHFFFAOYSA-N
MW512.49 g/mol
LogP3.63
Rot. Bonds8

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

N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 44573270) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID44573270
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC NameN-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cc(C(F)(F)F)ccn4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C25H23F3N6O3/c1-15(35)29-11-12-34-23-20(32-22(24(34)36)16-3-5-19(37-2)6-4-16)7-8-21(33-23)31-14-18-13-17(9-10-30-18)25(26,27)28/h3-10,13H,11-12,14H2,1-2H3,(H,29,35)(H,31,33)
InChIKeyMQCJMILDOYNHBF-UHFFFAOYSA-N
XLogP3.63
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 44573270) is N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is COc1ccc(-c2nc3ccc(NCc4cc(C(F)(F)F)ccn4)nc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is MQCJMILDOYNHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c1-15(35)29-11-12-34-23-20(32-22(24(34)36)16-3-5-19(37-2)6-4-16)7-8-21(33-23)31-14-18-13-17(9-10-30-18)25(26,27)28/h3-10,13H,11-12,14H2,1-2H3,(H,29,35)(H,31,33).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 512.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 44573270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).