benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate

C19H19N5O2 — CID 133397587

IUPACbenzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C19H19N5O2/c25-19(26-14-15-4-2-1-3-5-15)24-12-10-23(11-13-24)17-7-6-16-18(22-17)21-9-8-20-16/h1-9H,10-14H2
InChIKeyYZHITRMULSOZKZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds3

About benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate

benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate (PubChem CID 133397587) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate
PubChem CID133397587
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Namebenzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C19H19N5O2/c25-19(26-14-15-4-2-1-3-5-15)24-12-10-23(11-13-24)17-7-6-16-18(22-17)21-9-8-20-16/h1-9H,10-14H2
InChIKeyYZHITRMULSOZKZ-UHFFFAOYSA-N
XLogP2.48
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
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benzyl 4-(6-methyl-5-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 133397615
benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
CID 110645892
(3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate
CID 6735256
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-(7-chloro-1,8-naphthyridin-3-yl)piperazine-1-carboxylate
CID 168978371
dibenzyl 1,7-diaza-4,10-diazoniacyclododecane-1,7-dicarboxylate dichloride
CID 172851166

Frequently Asked Questions

What is the IUPAC name of benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate?
The IUPAC name of benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate (CID 133397587) is benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(c2ccc3nccnc3n2)CC1.
What is the InChIKey of benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate?
The InChIKey is YZHITRMULSOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(26-14-15-4-2-1-3-5-15)24-12-10-23(11-13-24)17-7-6-16-18(22-17)21-9-8-20-16/h1-9H,10-14H2.
What are the key properties of benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate?
benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate is sourced from PubChem (CID 133397587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).