7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione

C18H16Cl2N6O3 — CID 170347633

IUPAC7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(C(=O)c3ncc(Cl)cn3)CC2)c2ncc(Cl)cc21
InChIInChI=1S/C18H16Cl2N6O3/c1-24-13-6-10(19)7-23-15(13)26(18(29)17(24)28)12-2-4-25(5-3-12)16(27)14-21-8-11(20)9-22-14/h6-9,12H,2-5H2,1H3
InChIKeyDXMNQHAXAKFKDM-UHFFFAOYSA-N
MW435.27 g/mol
LogP1.67
Rot. Bonds2

About 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione

7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 170347633) has the molecular formula C18H16Cl2N6O3 and a molecular weight of 435.27 g/mol. Its IUPAC name is 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
PubChem CID170347633
Molecular FormulaC18H16Cl2N6O3
Molecular Weight435.27 g/mol
Exact Mass434.07
IUPAC Name7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(C(=O)c3ncc(Cl)cn3)CC2)c2ncc(Cl)cc21
InChIInChI=1S/C18H16Cl2N6O3/c1-24-13-6-10(19)7-23-15(13)26(18(29)17(24)28)12-2-4-25(5-3-12)16(27)14-21-8-11(20)9-22-14/h6-9,12H,2-5H2,1H3
InChIKeyDXMNQHAXAKFKDM-UHFFFAOYSA-N
XLogP1.67
TPSA102.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 51.67
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-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
CID 170347486
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-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344718
4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381835
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
7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347525
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
1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
CID 170238575
7-chloro-4-[1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381764
7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 175956793
(2R,5S)-4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-2,5-dimethylpiperidine-1-carboxylic acid
CID 170347554
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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione (CID 170347633) is 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione is Cn1c(=O)c(=O)n(C2CCN(C(=O)c3ncc(Cl)cn3)CC2)c2ncc(Cl)cc21.
What is the InChIKey of 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is DXMNQHAXAKFKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6O3/c1-24-13-6-10(19)7-23-15(13)26(18(29)17(24)28)12-2-4-25(5-3-12)16(27)14-21-8-11(20)9-22-14/h6-9,12H,2-5H2,1H3.
What are the key properties of 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 435.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 170347633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).