2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine

C106H152N8O2 — CID 88655953

IUPAC2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine
SMILESCCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCC)cn4)cc3)C3CCC(CC)CC3)C3CCC(CC)CC3)cc2)cn1.CCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)cn1
InChIInChI=1S/C54H78N4O.C52H74N4O/c1-5-9-11-13-15-19-49-37-57-51(39-55-49)43-29-33-47(34-30-43)53(45-25-21-41(17-7-3)22-26-45)59-54(46-27-23-42(18-8-4)24-28-46)48-35-31-44(32-36-48)52-40-56-50(38-58-52)20-16-14-12-10-6-2;1-5-9-11-13-15-17-47-35-55-49(37-53-47)41-27-31-45(32-28-41)51(43-23-19-39(7-3)20-24-43)57-52(44-25-21-40(8-4)22-26-44)46-33-29-42(30-34-46)50-38-54-48(36-56-50)18-16-14-12-10-6-2/h29-42,45-46,53-54H,5-28H2,1-4H3;27-40,43-44,51-52H,5-26H2,1-4H3
InChIKeyNMVSGAMYGMUGMC-UHFFFAOYSA-N
MW1570.44 g/mol
LogP30.50
Rot. Bonds46

About 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine

2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine (PubChem CID 88655953) has the molecular formula C106H152N8O2 and a molecular weight of 1570.44 g/mol. Its IUPAC name is 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine
PubChem CID88655953
Molecular FormulaC106H152N8O2
Molecular Weight1570.44 g/mol
Exact Mass1569.20
IUPAC Name2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine
SMILESCCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCC)cn4)cc3)C3CCC(CC)CC3)C3CCC(CC)CC3)cc2)cn1.CCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)cn1
InChIInChI=1S/C54H78N4O.C52H74N4O/c1-5-9-11-13-15-19-49-37-57-51(39-55-49)43-29-33-47(34-30-43)53(45-25-21-41(17-7-3)22-26-45)59-54(46-27-23-42(18-8-4)24-28-46)48-35-31-44(32-36-48)52-40-56-50(38-58-52)20-16-14-12-10-6-2;1-5-9-11-13-15-17-47-35-55-49(37-53-47)41-27-31-45(32-28-41)51(43-23-19-39(7-3)20-24-43)57-52(44-25-21-40(8-4)22-26-44)46-33-29-42(30-34-46)50-38-54-48(36-56-50)18-16-14-12-10-6-2/h29-42,45-46,53-54H,5-28H2,1-4H3;27-40,43-44,51-52H,5-26H2,1-4H3
InChIKeyNMVSGAMYGMUGMC-UHFFFAOYSA-N
XLogP30.50
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds46
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001570.44
LogP ≤ 530.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine with MolForge

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Related Compounds

2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine
CID 157044468
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157044573
5-(2,4-difluorophenyl)-2-methyl-7-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157044946
5-(2,4-Difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045109
2,3-Dimethyl-7-[2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine
CID 157045380
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045534
2-methyl-7-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine
CID 157045586
2-methyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine
CID 157045890
2-[3-methyl-4-[1-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethyl]phenyl]-5-(trifluoromethyl)pyrazine
CID 162515517
2-[3-methyl-4-[(1R)-1-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propyl]phenyl]-5-(trifluoromethyl)pyrazine
CID 162515531
2-[3-methyl-4-[(1R)-1-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]prop-2-enyl]phenyl]-5-(trifluoromethyl)pyrazine
CID 162515533
2-[3-methyl-4-[(1R)-1-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propyl]phenyl]-5-(trifluoromethyl)pyrazine
CID 165157918

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine?
The IUPAC name of 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine (CID 88655953) is 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine.
What is the SMILES notation for 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine?
The canonical SMILES for 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine is CCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCC)cn4)cc3)C3CCC(CC)CC3)C3CCC(CC)CC3)cc2)cn1.CCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)cn1.
What is the InChIKey of 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine?
The InChIKey is NMVSGAMYGMUGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H78N4O.C52H74N4O/c1-5-9-11-13-15-19-49-37-57-51(39-55-49)43-29-33-47(34-30-43)53(45-25-21-41(17-7-3)22-26-45)59-54(46-27-23-42(18-8-4)24-28-46)48-35-31-44(32-36-48)52-40-56-50(38-58-52)20-16-14-12-10-6-2;1-5-9-11-13-15-17-47-35-55-49(37-53-47)41-27-31-45(32-28-41)51(43-23-19-39(7-3)20-24-43)57-52(44-25-21-40(8-4)22-26-44)46-33-29-42(30-34-46)50-38-54-48(36-56-50)18-16-14-12-10-6-2/h29-42,45-46,53-54H,5-28H2,1-4H3;27-40,43-44,51-52H,5-26H2,1-4H3.
What are the key properties of 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine?
2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine has a molecular weight of 1570.44 g/mol, XLogP of 30.50, 46 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-heptylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-heptylpyrazine;2-heptyl-5-[4-[[[4-(5-heptylpyrazin-2-yl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyrazine is sourced from PubChem (CID 88655953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).