2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one

C26H29N5O3 — CID 134798452

IUPAC2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1nc2cccnc2n(CCc2ccccc2)c1=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C26H29N5O3/c32-24(20-9-4-5-10-20)29-15-17-30(18-16-29)25(33)22-26(34)31(14-12-19-7-2-1-3-8-19)23-21(28-22)11-6-13-27-23/h1-3,6-8,11,13,20H,4-5,9-10,12,14-18H2
InChIKeyZFTACODRCARWGH-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one

2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 134798452) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID134798452
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1nc2cccnc2n(CCc2ccccc2)c1=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C26H29N5O3/c32-24(20-9-4-5-10-20)29-15-17-30(18-16-29)25(33)22-26(34)31(14-12-19-7-2-1-3-8-19)23-21(28-22)11-6-13-27-23/h1-3,6-8,11,13,20H,4-5,9-10,12,14-18H2
InChIKeyZFTACODRCARWGH-UHFFFAOYSA-N
XLogP2.51
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one with MolForge

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Related Compounds

2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
CID 134800423
2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797301
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one
CID 134799405
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797015
4-(3-methoxypropyl)-2-(4-phenylpiperidine-1-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134799498
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810
methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile
CID 134797682
2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797182
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one (CID 134798452) is 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one is O=C(c1nc2cccnc2n(CCc2ccccc2)c1=O)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZFTACODRCARWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c32-24(20-9-4-5-10-20)29-15-17-30(18-16-29)25(33)22-26(34)31(14-12-19-7-2-1-3-8-19)23-21(28-22)11-6-13-27-23/h1-3,6-8,11,13,20H,4-5,9-10,12,14-18H2.
What are the key properties of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 459.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134798452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).