(6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C26H35ClN2O2 — CID 143169321

IUPAC(6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCOc1cc(N2CCN3C(CCC[C@@H]3c3ccc(OC(C)C)c(C)c3C)C2)ccc1Cl
InChIInChI=1S/C26H35ClN2O2/c1-17(2)31-25-12-10-22(18(3)19(25)4)24-8-6-7-21-16-28(13-14-29(21)24)20-9-11-23(27)26(15-20)30-5/h9-12,15,17,21,24H,6-8,13-14,16H2,1-5H3/t21?,24-/m1/s1
InChIKeyHTNOTBLNQSSYEU-MQNHUJCZSA-N
MW443.03 g/mol
LogP6.17
Rot. Bonds5

About (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

(6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 143169321) has the molecular formula C26H35ClN2O2 and a molecular weight of 443.03 g/mol. Its IUPAC name is (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name(6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID143169321
Molecular FormulaC26H35ClN2O2
Molecular Weight443.03 g/mol
Exact Mass442.24
IUPAC Name(6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCOc1cc(N2CCN3C(CCC[C@@H]3c3ccc(OC(C)C)c(C)c3C)C2)ccc1Cl
InChIInChI=1S/C26H35ClN2O2/c1-17(2)31-25-12-10-22(18(3)19(25)4)24-8-6-7-21-16-28(13-14-29(21)24)20-9-11-23(27)26(15-20)30-5/h9-12,15,17,21,24H,6-8,13-14,16H2,1-5H3/t21?,24-/m1/s1
InChIKeyHTNOTBLNQSSYEU-MQNHUJCZSA-N
XLogP6.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.03
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

(6R)-2-(4-chloro-3-methoxyphenyl)-6-[2,3-dimethyl-4-(3-methylbutoxy)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 143169531
(6R,9aS)-2-(4-chloro-3-methoxyphenyl)-6-[2,3-dimethyl-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 58589257
1-[4-[(6R)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]-3-(cyclopropylamino)propan-2-ol
CID 143169575
(3S)-1-[3-[4-[(6R,9aS)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]propyl]pyrrolidin-3-ol
CID 58589082
4-[4-[4-[(6R,9aS)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]butyl]morpholine
CID 58588911
N-[2-[4-[(6R)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]ethyl]pyridin-4-amine
CID 143169316
1-[3-[4-[(6R,9aS)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]propyl]pyrrolidin-2-one
CID 58588926
1-[4-[(6R)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 143169353
2-[4-[(6R)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide
CID 143169205
4-[3-[4-[(6R,9aS)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]propyl]piperazin-2-one
CID 58589311
4-[2-[4-[(6R,9aS)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]acetyl]piperazin-2-one
CID 58588850
(6R)-2-(4-chloro-3-methylphenyl)-6-(3,4-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 58727377

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 143169321) is (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is COc1cc(N2CCN3C(CCC[C@@H]3c3ccc(OC(C)C)c(C)c3C)C2)ccc1Cl.
What is the InChIKey of (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is HTNOTBLNQSSYEU-MQNHUJCZSA-N. The full InChI is InChI=1S/C26H35ClN2O2/c1-17(2)31-25-12-10-22(18(3)19(25)4)24-8-6-7-21-16-28(13-14-29(21)24)20-9-11-23(27)26(15-20)30-5/h9-12,15,17,21,24H,6-8,13-14,16H2,1-5H3/t21?,24-/m1/s1.
What are the key properties of (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
(6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 443.03 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 143169321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).