5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine

C36H46N8O5 — CID 151525226

IUPAC5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine
SMILESCOc1ccccc1OCC(C)c1cnc(Oc2ncc(C(C)COc3ccccc3OC)nc2N2CCNCC2)c(N2CCNCC2)n1
InChIInChI=1S/C36H46N8O5/c1-25(23-47-31-11-7-5-9-29(31)45-3)27-21-39-35(33(41-27)43-17-13-37-14-18-43)49-36-34(44-19-15-38-16-20-44)42-28(22-40-36)26(2)24-48-32-12-8-6-10-30(32)46-4/h5-12,21-22,25-26,37-38H,13-20,23-24H2,1-4H3
InChIKeyPVHSHDAIRIUGKS-UHFFFAOYSA-N
MW670.82 g/mol
LogP4.26
Rot. Bonds14

About 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine

5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine (PubChem CID 151525226) has the molecular formula C36H46N8O5 and a molecular weight of 670.82 g/mol. Its IUPAC name is 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine
PubChem CID151525226
Molecular FormulaC36H46N8O5
Molecular Weight670.82 g/mol
Exact Mass670.36
IUPAC Name5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine
SMILESCOc1ccccc1OCC(C)c1cnc(Oc2ncc(C(C)COc3ccccc3OC)nc2N2CCNCC2)c(N2CCNCC2)n1
InChIInChI=1S/C36H46N8O5/c1-25(23-47-31-11-7-5-9-29(31)45-3)27-21-39-35(33(41-27)43-17-13-37-14-18-43)49-36-34(44-19-15-38-16-20-44)42-28(22-40-36)26(2)24-48-32-12-8-6-10-30(32)46-4/h5-12,21-22,25-26,37-38H,13-20,23-24H2,1-4H3
InChIKeyPVHSHDAIRIUGKS-UHFFFAOYSA-N
XLogP4.26
TPSA128.25 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.82
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine with MolForge

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Related Compounds

1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021730
2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211903
2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine
CID 22036316
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride
CID 71643070
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211247
1-[2-(2-methylbutoxy)phenyl]-1,4-diazepane
CID 55037049
1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
CID 82353822
4-methoxy-3-piperazin-1-yl-1,2-benzothiazole
CID 15169803

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine?
The IUPAC name of 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine (CID 151525226) is 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine.
What is the SMILES notation for 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine?
The canonical SMILES for 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine is COc1ccccc1OCC(C)c1cnc(Oc2ncc(C(C)COc3ccccc3OC)nc2N2CCNCC2)c(N2CCNCC2)n1.
What is the InChIKey of 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine?
The InChIKey is PVHSHDAIRIUGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N8O5/c1-25(23-47-31-11-7-5-9-29(31)45-3)27-21-39-35(33(41-27)43-17-13-37-14-18-43)49-36-34(44-19-15-38-16-20-44)42-28(22-40-36)26(2)24-48-32-12-8-6-10-30(32)46-4/h5-12,21-22,25-26,37-38H,13-20,23-24H2,1-4H3.
What are the key properties of 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine?
5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine has a molecular weight of 670.82 g/mol, XLogP of 4.26, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine is sourced from PubChem (CID 151525226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).