2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone

C25H26ClN5O3 — CID 58347789

IUPAC2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(COc1cc(C(=O)N2CCN(C(=O)Cc3nccnc3Cl)CC2)ccn1)c1ccccc1
InChIInChI=1S/C25H26ClN5O3/c1-18(19-5-3-2-4-6-19)17-34-22-15-20(7-8-28-22)25(33)31-13-11-30(12-14-31)23(32)16-21-24(26)29-10-9-27-21/h2-10,15,18H,11-14,16-17H2,1H3
InChIKeyQSEFDYZXCAWYGU-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.23
Rot. Bonds7

About 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone

2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 58347789) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID58347789
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(COc1cc(C(=O)N2CCN(C(=O)Cc3nccnc3Cl)CC2)ccn1)c1ccccc1
InChIInChI=1S/C25H26ClN5O3/c1-18(19-5-3-2-4-6-19)17-34-22-15-20(7-8-28-22)25(33)31-13-11-30(12-14-31)23(32)16-21-24(26)29-10-9-27-21/h2-10,15,18H,11-14,16-17H2,1H3
InChIKeyQSEFDYZXCAWYGU-UHFFFAOYSA-N
XLogP3.23
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 58347770
N-oxo-2-(2-phenylpropoxy)pyridine-4-carboxamide
CID 89174231
tert-butyl 4-[2-(3-chloropyrazin-2-yl)acetyl]piperazine-1-carboxylate
CID 58347920
[4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 139011439
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347996
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
N-(3-chloropyrazin-2-yl)-4-[2-[(2,3-difluorophenyl)methoxy]pyridine-4-carbonyl]piperazine-1-carboxamide
CID 88927334
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-ethylphenoxy)ethanone
CID 108533558
4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109084145

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone (CID 58347789) is 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone is CC(COc1cc(C(=O)N2CCN(C(=O)Cc3nccnc3Cl)CC2)ccn1)c1ccccc1.
What is the InChIKey of 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is QSEFDYZXCAWYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c1-18(19-5-3-2-4-6-19)17-34-22-15-20(7-8-28-22)25(33)31-13-11-30(12-14-31)23(32)16-21-24(26)29-10-9-27-21/h2-10,15,18H,11-14,16-17H2,1H3.
What are the key properties of 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 479.97 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58347789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).