7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione

C24H25F3N4O3 — CID 163381763

IUPAC7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c2ncc(C3CC3)cc21
InChIInChI=1S/C24H25F3N4O3/c1-29-20-12-17(16-4-5-16)13-28-21(20)31(23(33)22(29)32)18-8-10-30(11-9-18)14-15-2-6-19(7-3-15)34-24(25,26)27/h2-3,6-7,12-13,16,18H,4-5,8-11,14H2,1H3
InChIKeyLRTMUFIIFPBXDY-UHFFFAOYSA-N
MW474.48 g/mol
LogP3.71
Rot. Bonds5

About 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione

7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 163381763) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID163381763
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c2ncc(C3CC3)cc21
InChIInChI=1S/C24H25F3N4O3/c1-29-20-12-17(16-4-5-16)13-28-21(20)31(23(33)22(29)32)18-8-10-30(11-9-18)14-15-2-6-19(7-3-15)34-24(25,26)27/h2-3,6-7,12-13,16,18H,4-5,8-11,14H2,1H3
InChIKeyLRTMUFIIFPBXDY-UHFFFAOYSA-N
XLogP3.71
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione (CID 163381763) is 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione is Cn1c(=O)c(=O)n(C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c2ncc(C3CC3)cc21.
What is the InChIKey of 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is LRTMUFIIFPBXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-29-20-12-17(16-4-5-16)13-28-21(20)31(23(33)22(29)32)18-8-10-30(11-9-18)14-15-2-6-19(7-3-15)34-24(25,26)27/h2-3,6-7,12-13,16,18H,4-5,8-11,14H2,1H3.
What are the key properties of 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione?
7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 474.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 163381763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).