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

C22H29N5O4 — CID 134800423

IUPAC2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCCCn1c(=O)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)nc2cccnc21
InChIInChI=1S/C22H29N5O4/c1-31-15-5-10-27-19-17(8-4-9-23-19)24-18(22(27)30)21(29)26-13-11-25(12-14-26)20(28)16-6-2-3-7-16/h4,8-9,16H,2-3,5-7,10-15H2,1H3
InChIKeyKJYRZLUMBKASTM-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.30
Rot. Bonds6

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

2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 134800423) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID134800423
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOCCCn1c(=O)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)nc2cccnc21
InChIInChI=1S/C22H29N5O4/c1-31-15-5-10-27-19-17(8-4-9-23-19)24-18(22(27)30)21(29)26-13-11-25(12-14-26)20(28)16-6-2-3-7-16/h4,8-9,16H,2-3,5-7,10-15H2,1H3
InChIKeyKJYRZLUMBKASTM-UHFFFAOYSA-N
XLogP1.30
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one (CID 134800423) is 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one is COCCCn1c(=O)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)nc2cccnc21.
What is the InChIKey of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is KJYRZLUMBKASTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-31-15-5-10-27-19-17(8-4-9-23-19)24-18(22(27)30)21(29)26-13-11-25(12-14-26)20(28)16-6-2-3-7-16/h4,8-9,16H,2-3,5-7,10-15H2,1H3.
What are the key properties of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one?
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 427.51 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134800423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).