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

C26H24F3N5O3 — CID 24830389

IUPACN-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H24F3N5O3/c1-16(35)30-12-13-34-24-21(32-23(25(34)36)18-6-8-20(37-2)9-7-18)10-11-22(33-24)31-15-17-4-3-5-19(14-17)26(27,28)29/h3-11,14H,12-13,15H2,1-2H3,(H,30,35)(H,31,33)
InChIKeyKJTLQXZRANMVLM-UHFFFAOYSA-N
MW511.50 g/mol
LogP4.23
Rot. Bonds8

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

N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24830389) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24830389
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC NameN-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H24F3N5O3/c1-16(35)30-12-13-34-24-21(32-23(25(34)36)18-6-8-20(37-2)9-7-18)10-11-22(33-24)31-15-17-4-3-5-19(14-17)26(27,28)29/h3-11,14H,12-13,15H2,1-2H3,(H,30,35)(H,31,33)
InChIKeyKJTLQXZRANMVLM-UHFFFAOYSA-N
XLogP4.23
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Sonidegib
CID 24775005
2-[3-(4-Methylphenoxy)phenyl]-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 76314247
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
Carbamic acid, (5-amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
CID 150003
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-4-(4-methoxyphenyl)butanamide
CID 11453381
(E)-N-[2-(2-Dimethylamino-ethylamino)-4-methyl-quinolin-6-yl]-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 11648240
N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-methoxy-phenyl)-propionamide
CID 22421743
3-(4-Methoxy-phenyl)-N-[4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-propionamide
CID 22422406
3-(6-(3,4-dichlorobenzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)propanamide
CID 24830061
3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)propanamide
CID 24830062
N-(2-(6-((3,4-Dichlorobenzyl)amino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24830385
N-(2-(6-(3-chlorobenzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24830387

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24830389) is N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is COc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is KJTLQXZRANMVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-16(35)30-12-13-34-24-21(32-23(25(34)36)18-6-8-20(37-2)9-7-18)10-11-22(33-24)31-15-17-4-3-5-19(14-17)26(27,28)29/h3-11,14H,12-13,15H2,1-2H3,(H,30,35)(H,31,33).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 511.50 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24830389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).