(6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one

C23H27ClN2O4 — CID 23395632

IUPAC(6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCOc1cc(N2CCN3C(CC(=O)C[C@@H]3c3ccc(OC)c(OC)c3)C2)ccc1Cl
InChIInChI=1S/C23H27ClN2O4/c1-28-21-7-4-15(10-23(21)30-3)20-13-18(27)11-17-14-25(8-9-26(17)20)16-5-6-19(24)22(12-16)29-2/h4-7,10,12,17,20H,8-9,11,13-14H2,1-3H3/t17?,20-/m1/s1
InChIKeyZAQHRSMSCIQDQJ-UUSAFJCLSA-N
MW430.93 g/mol
LogP3.96
Rot. Bonds5

About (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one

(6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 23395632) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name(6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID23395632
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name(6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCOc1cc(N2CCN3C(CC(=O)C[C@@H]3c3ccc(OC)c(OC)c3)C2)ccc1Cl
InChIInChI=1S/C23H27ClN2O4/c1-28-21-7-4-15(10-23(21)30-3)20-13-18(27)11-17-14-25(8-9-26(17)20)16-5-6-19(24)22(12-16)29-2/h4-7,10,12,17,20H,8-9,11,13-14H2,1-3H3/t17?,20-/m1/s1
InChIKeyZAQHRSMSCIQDQJ-UUSAFJCLSA-N
XLogP3.96
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 23395632) is (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one is COc1cc(N2CCN3C(CC(=O)C[C@@H]3c3ccc(OC)c(OC)c3)C2)ccc1Cl.
What is the InChIKey of (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is ZAQHRSMSCIQDQJ-UUSAFJCLSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-28-21-7-4-15(10-23(21)30-3)20-13-18(27)11-17-14-25(8-9-26(17)20)16-5-6-19(24)22(12-16)29-2/h4-7,10,12,17,20H,8-9,11,13-14H2,1-3H3/t17?,20-/m1/s1.
What are the key properties of (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one?
(6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 430.93 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(4-chloro-3-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 23395632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).