7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione

C22H26ClN5O2 — CID 170344718

IUPAC7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCN(C)Cc1ccc(N2CCC(n3c(=O)c(=O)n(C)c4cc(Cl)cnc43)CC2)cc1
InChIInChI=1S/C22H26ClN5O2/c1-25(2)14-15-4-6-17(7-5-15)27-10-8-18(9-11-27)28-20-19(12-16(23)13-24-20)26(3)21(29)22(28)30/h4-7,12-13,18H,8-11,14H2,1-3H3
InChIKeyBQQOWQTYYKOWIF-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.65
Rot. Bonds4

About 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione

7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 170344718) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
PubChem CID170344718
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCN(C)Cc1ccc(N2CCC(n3c(=O)c(=O)n(C)c4cc(Cl)cnc43)CC2)cc1
InChIInChI=1S/C22H26ClN5O2/c1-25(2)14-15-4-6-17(7-5-15)27-10-8-18(9-11-27)28-20-19(12-16(23)13-24-20)26(3)21(29)22(28)30/h4-7,12-13,18H,8-11,14H2,1-3H3
InChIKeyBQQOWQTYYKOWIF-UHFFFAOYSA-N
XLogP2.65
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-[[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-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347633
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
2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 170344673
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-chloro-4-[1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381764
4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381835
7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347525
7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
CID 163381763
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094
7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 175956793

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione (CID 170344718) is 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione is CN(C)Cc1ccc(N2CCC(n3c(=O)c(=O)n(C)c4cc(Cl)cnc43)CC2)cc1.
What is the InChIKey of 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is BQQOWQTYYKOWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-25(2)14-15-4-6-17(7-5-15)27-10-8-18(9-11-27)28-20-19(12-16(23)13-24-20)26(3)21(29)22(28)30/h4-7,12-13,18H,8-11,14H2,1-3H3.
What are the key properties of 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 427.94 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 170344718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).