N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide

C22H23ClN6O4 — CID 134799128

IUPACN-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2cccnc21
InChIInChI=1S/C22H23ClN6O4/c1-33-14-13-29-19-17(3-2-8-24-19)26-18(21(29)31)20(30)27-9-11-28(12-10-27)22(32)25-16-6-4-15(23)5-7-16/h2-8H,9-14H2,1H3,(H,25,32)
InChIKeyBMLGNQXQJNEVDD-UHFFFAOYSA-N
MW470.92 g/mol
LogP2.08
Rot. Bonds5

About N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide

N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide (PubChem CID 134799128) has the molecular formula C22H23ClN6O4 and a molecular weight of 470.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide
PubChem CID134799128
Molecular FormulaC22H23ClN6O4
Molecular Weight470.92 g/mol
Exact Mass470.15
IUPAC NameN-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2cccnc21
InChIInChI=1S/C22H23ClN6O4/c1-33-14-13-29-19-17(3-2-8-24-19)26-18(21(29)31)20(30)27-9-11-28(12-10-27)22(32)25-16-6-4-15(23)5-7-16/h2-8H,9-14H2,1H3,(H,25,32)
InChIKeyBMLGNQXQJNEVDD-UHFFFAOYSA-N
XLogP2.08
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.92
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797182
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
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831420
2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710
N-(3-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273543
2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 134797009
N-(cyclopropylmethyl)-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798713
N-(4-ethylphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274086

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide (CID 134799128) is N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide is COCCn1c(=O)c(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2cccnc21.
What is the InChIKey of N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide?
The InChIKey is BMLGNQXQJNEVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O4/c1-33-14-13-29-19-17(3-2-8-24-19)26-18(21(29)31)20(30)27-9-11-28(12-10-27)22(32)25-16-6-4-15(23)5-7-16/h2-8H,9-14H2,1H3,(H,25,32).
What are the key properties of N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide has a molecular weight of 470.92 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 134799128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).