4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one

C23H22F3N5O4 — CID 134795834

IUPAC4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2cccnc21
InChIInChI=1S/C23H22F3N5O4/c1-35-14-13-31-19-17(3-2-8-27-19)28-18(22(31)34)21(33)30-11-9-29(10-12-30)20(32)15-4-6-16(7-5-15)23(24,25)26/h2-8H,9-14H2,1H3
InChIKeyXYWLXPJTGFJCJG-UHFFFAOYSA-N
MW489.45 g/mol
LogP2.05
Rot. Bonds5

About 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one

4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 134795834) has the molecular formula C23H22F3N5O4 and a molecular weight of 489.45 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
PubChem CID134795834
Molecular FormulaC23H22F3N5O4
Molecular Weight489.45 g/mol
Exact Mass489.16
IUPAC Name4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
SMILESCOCCn1c(=O)c(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2cccnc21
InChIInChI=1S/C23H22F3N5O4/c1-35-14-13-31-19-17(3-2-8-27-19)28-18(22(31)34)21(33)30-11-9-29(10-12-30)20(32)15-4-6-16(7-5-15)23(24,25)26/h2-8H,9-14H2,1H3
InChIKeyXYWLXPJTGFJCJG-UHFFFAOYSA-N
XLogP2.05
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
N-(4-chlorophenyl)-4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxamide
CID 134799128
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
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797015
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797301
2-(4-benzoylpiperazine-1-carbonyl)-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 134796790
2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one (CID 134795834) is 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one is COCCn1c(=O)c(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2cccnc21.
What is the InChIKey of 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is XYWLXPJTGFJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O4/c1-35-14-13-31-19-17(3-2-8-27-19)28-18(22(31)34)21(33)30-11-9-29(10-12-30)20(32)15-4-6-16(7-5-15)23(24,25)26/h2-8H,9-14H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one?
4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 489.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134795834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).