(2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine

C26H38N4O4 — CID 57165562

IUPAC(2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccccc1C[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC
InChIInChI=1S/C26H38N4O4/c1-15(2)21-25(33-7)27-19(23(29-21)31-5)13-17-11-9-10-12-18(17)14-20-24(32-6)30-22(16(3)4)26(28-20)34-8/h9-12,15-16,19-22H,13-14H2,1-8H3/t19-,20-,21+,22+/m0/s1
InChIKeyIISWHKCWKPXDKY-FNAHDJPLSA-N
MW470.61 g/mol
LogP3.76
Rot. Bonds6

About (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine

(2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 57165562) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID57165562
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Name(2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccccc1C[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC
InChIInChI=1S/C26H38N4O4/c1-15(2)21-25(33-7)27-19(23(29-21)31-5)13-17-11-9-10-12-18(17)14-20-24(32-6)30-22(16(3)4)26(28-20)34-8/h9-12,15-16,19-22H,13-14H2,1-8H3/t19-,20-,21+,22+/m0/s1
InChIKeyIISWHKCWKPXDKY-FNAHDJPLSA-N
XLogP3.76
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]indole
CID 175958539
(2R,5S)-2-[(4,6-dichloro-3-pyridinyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 137480591
1-(benzenesulfonyl)-3-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]indole
CID 59172300
(2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-[[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]methyl]-2,5-dihydropyrazine
CID 153494059
(3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane
CID 85234370
(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 67746400
2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethanol
CID 89467233
(2S,5R)-3,6-dimethoxy-2-[4-[(4-methoxyphenyl)methylsulfanyl]butyl]-5-propan-2-yl-2,5-dihydropyrazine
CID 57113716
(2R,5S)-2-(2-diethoxyphosphorylethyl)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 59142065
(2R,5R)-2-[[1-(chloromethyl)silolan-1-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 90227671
(S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol
CID 23243524
(R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol
CID 23243525

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine (CID 57165562) is (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccccc1C[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC.
What is the InChIKey of (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is IISWHKCWKPXDKY-FNAHDJPLSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-15(2)21-25(33-7)27-19(23(29-21)31-5)13-17-11-9-10-12-18(17)14-20-24(32-6)30-22(16(3)4)26(28-20)34-8/h9-12,15-16,19-22H,13-14H2,1-8H3/t19-,20-,21+,22+/m0/s1.
What are the key properties of (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
(2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 470.61 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-[[2-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 57165562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).