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

C21H25N5O3 — CID 134799405

IUPAC2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1nc2cccnc2n(C2CC2)c1=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H25N5O3/c27-19(14-4-1-2-5-14)24-10-12-25(13-11-24)20(28)17-21(29)26(15-7-8-15)18-16(23-17)6-3-9-22-18/h3,6,9,14-15H,1-2,4-5,7-8,10-13H2
InChIKeyISVQOTPMDRHCTD-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.60
Rot. Bonds3

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

2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one (PubChem CID 134799405) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one
PubChem CID134799405
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1nc2cccnc2n(C2CC2)c1=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H25N5O3/c27-19(14-4-1-2-5-14)24-10-12-25(13-11-24)20(28)17-21(29)26(15-7-8-15)18-16(23-17)6-3-9-22-18/h3,6,9,14-15H,1-2,4-5,7-8,10-13H2
InChIKeyISVQOTPMDRHCTD-UHFFFAOYSA-N
XLogP1.60
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one
CID 134799315
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134798452
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
CID 134800423
4-cyclopropyl-N,N-dimethyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797668
cyclobutyl-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 42431837
CID 134796361
CID 134796361
cyclohexyl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 53186782
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
2-bromo-4-cyclopropylpyrido[2,3-b]pyrazin-3-one
CID 58103199
4-cyclopropyl-N-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797187
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810
N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134796821

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one (CID 134799405) is 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one is O=C(c1nc2cccnc2n(C2CC2)c1=O)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is ISVQOTPMDRHCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-19(14-4-1-2-5-14)24-10-12-25(13-11-24)20(28)17-21(29)26(15-7-8-15)18-16(23-17)6-3-9-22-18/h3,6,9,14-15H,1-2,4-5,7-8,10-13H2.
What are the key properties of 2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one?
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 395.46 g/mol, XLogP of 1.60, 3 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-cyclopropylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134799405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).