6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione

C18H15Cl2F3N6O2 — CID 170344679

IUPAC6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)c2nc(Cl)c(Cl)cc21
InChIInChI=1S/C18H15Cl2F3N6O2/c1-27-12-6-11(19)13(20)26-14(12)29(16(31)15(27)30)10-2-4-28(5-3-10)17-24-7-9(8-25-17)18(21,22)23/h6-8,10H,2-5H2,1H3
InChIKeyZQLXXJAJVAXHLM-UHFFFAOYSA-N
MW475.26 g/mol
LogP3.05
Rot. Bonds2

About 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione

6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 170344679) has the molecular formula C18H15Cl2F3N6O2 and a molecular weight of 475.26 g/mol. Its IUPAC name is 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID170344679
Molecular FormulaC18H15Cl2F3N6O2
Molecular Weight475.26 g/mol
Exact Mass474.06
IUPAC Name6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)c2nc(Cl)c(Cl)cc21
InChIInChI=1S/C18H15Cl2F3N6O2/c1-27-12-6-11(19)13(20)26-14(12)29(16(31)15(27)30)10-2-4-28(5-3-10)17-24-7-9(8-25-17)18(21,22)23/h6-8,10H,2-5H2,1H3
InChIKeyZQLXXJAJVAXHLM-UHFFFAOYSA-N
XLogP3.05
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 170344673
7-chloro-4-[1-[5-[(2,4-dimethylpiperazin-1-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344609
6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione
CID 170600711
2-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methyl-methylamino]acetamide
CID 170344772
3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 156733403
2-[4-(6-acetyl-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 170600673
4-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methylamino]benzonitrile
CID 170344626
7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 175956793
7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347633
1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
CID 170238575
8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione
CID 154640809
8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 156769367

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione (CID 170344679) is 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione is Cn1c(=O)c(=O)n(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)c2nc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is ZQLXXJAJVAXHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F3N6O2/c1-27-12-6-11(19)13(20)26-14(12)29(16(31)15(27)30)10-2-4-28(5-3-10)17-24-7-9(8-25-17)18(21,22)23/h6-8,10H,2-5H2,1H3.
What are the key properties of 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione?
6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 475.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 170344679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).