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

C17H21N5O5 — CID 134796878

IUPACmethyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)OC)CC2)nc2cccnc21
InChIInChI=1S/C17H21N5O5/c1-26-11-10-22-14-12(4-3-5-18-14)19-13(16(22)24)15(23)20-6-8-21(9-7-20)17(25)27-2/h3-5H,6-11H2,1-2H3
InChIKeySMHJPNQMSGELEY-UHFFFAOYSA-N
MW375.39 g/mol
LogP-0.04
Rot. Bonds4

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

methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 134796878) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
PubChem CID134796878
Molecular FormulaC17H21N5O5
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC Namemethyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)OC)CC2)nc2cccnc21
InChIInChI=1S/C17H21N5O5/c1-26-11-10-22-14-12(4-3-5-18-14)19-13(16(22)24)15(23)20-6-8-21(9-7-20)17(25)27-2/h3-5H,6-11H2,1-2H3
InChIKeySMHJPNQMSGELEY-UHFFFAOYSA-N
XLogP-0.04
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797182
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
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
4-(3-methoxypropyl)-2-(4-phenylpiperidine-1-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134799498
N-(cyclopropylmethyl)-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798713
1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile
CID 134797682
2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797015
4-[(4-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134797092
2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 134797009

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate (CID 134796878) is methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate is COCCn1c(=O)c(C(=O)N2CCN(C(=O)OC)CC2)nc2cccnc21.
What is the InChIKey of methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is SMHJPNQMSGELEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5/c1-26-11-10-22-14-12(4-3-5-18-14)19-13(16(22)24)15(23)20-6-8-21(9-7-20)17(25)27-2/h3-5H,6-11H2,1-2H3.
What are the key properties of methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate?
methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 375.39 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 134796878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).