1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile

C22H18F3N5O4 — CID 170347548

IUPAC1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile
SMILESCn1c(=O)c(=O)n(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c2nc(C#N)ccc21
InChIInChI=1S/C22H18F3N5O4/c1-28-17-7-4-14(12-26)27-18(17)30(21(33)20(28)32)15-8-10-29(11-9-15)19(31)13-2-5-16(6-3-13)34-22(23,24)25/h2-7,15H,8-11H2,1H3
InChIKeyMALWEMCSHCDJJH-UHFFFAOYSA-N
MW473.41 g/mol
LogP2.34
Rot. Bonds3

About 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile

1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile (PubChem CID 170347548) has the molecular formula C22H18F3N5O4 and a molecular weight of 473.41 g/mol. Its IUPAC name is 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile.

Molecular Properties

Compound Name1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile
PubChem CID170347548
Molecular FormulaC22H18F3N5O4
Molecular Weight473.41 g/mol
Exact Mass473.13
IUPAC Name1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile
SMILESCn1c(=O)c(=O)n(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c2nc(C#N)ccc21
InChIInChI=1S/C22H18F3N5O4/c1-28-17-7-4-14(12-26)27-18(17)30(21(33)20(28)32)15-8-10-29(11-9-15)19(31)13-2-5-16(6-3-13)34-22(23,24)25/h2-7,15H,8-11H2,1H3
InChIKeyMALWEMCSHCDJJH-UHFFFAOYSA-N
XLogP2.34
TPSA110.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]quinazoline-7-carbonitrile
CID 139466397
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 90590063
2-[4-(6-acetyl-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 170600673
7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
CID 163381763
(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629082
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
[4-(6-methoxypyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 155766429
[4-(7-methylquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466461
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124592579

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile?
The IUPAC name of 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile (CID 170347548) is 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile.
What is the SMILES notation for 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile?
The canonical SMILES for 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile is Cn1c(=O)c(=O)n(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c2nc(C#N)ccc21.
What is the InChIKey of 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile?
The InChIKey is MALWEMCSHCDJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O4/c1-28-17-7-4-14(12-26)27-18(17)30(21(33)20(28)32)15-8-10-29(11-9-15)19(31)13-2-5-16(6-3-13)34-22(23,24)25/h2-7,15H,8-11H2,1H3.
What are the key properties of 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile?
1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile has a molecular weight of 473.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dioxo-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-6-carbonitrile is sourced from PubChem (CID 170347548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).