methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate

C18H23N5O4 — CID 134797766

IUPACmethyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2nc3cccnc3n(CC(C)C)c2=O)CC1
InChIInChI=1S/C18H23N5O4/c1-12(2)11-23-15-13(5-4-6-19-15)20-14(17(23)25)16(24)21-7-9-22(10-8-21)18(26)27-3/h4-6,12H,7-11H2,1-3H3
InChIKeyMKHGCXKNFONGHU-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.97
Rot. Bonds3

About methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate

methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 134797766) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
PubChem CID134797766
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Namemethyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2nc3cccnc3n(CC(C)C)c2=O)CC1
InChIInChI=1S/C18H23N5O4/c1-12(2)11-23-15-13(5-4-6-19-15)20-14(17(23)25)16(24)21-7-9-22(10-8-21)18(26)27-3/h4-6,12H,7-11H2,1-3H3
InChIKeyMKHGCXKNFONGHU-UHFFFAOYSA-N
XLogP0.97
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 53189854
2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797182
4-[(4-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134797092
N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide
CID 134799128
4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
CID 134795834
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
CID 134800423
3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84684642
N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189896
N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189852
2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 134797009
1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile
CID 134797682

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate (CID 134797766) is methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2nc3cccnc3n(CC(C)C)c2=O)CC1.
What is the InChIKey of methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is MKHGCXKNFONGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-12(2)11-23-15-13(5-4-6-19-15)20-14(17(23)25)16(24)21-7-9-22(10-8-21)18(26)27-3/h4-6,12H,7-11H2,1-3H3.
What are the key properties of methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate?
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 134797766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).