[(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone

C26H30N4O5 — CID 138708790

IUPAC[(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
SMILESCOC[C@H]1CN(c2cnc(C)cc2OC)CCN1C(=O)c1cc(OC)c(Oc2ccccc2)cn1
InChIInChI=1S/C26H30N4O5/c1-18-12-23(33-3)22(14-27-18)29-10-11-30(19(16-29)17-32-2)26(31)21-13-24(34-4)25(15-28-21)35-20-8-6-5-7-9-20/h5-9,12-15,19H,10-11,16-17H2,1-4H3/t19-/m1/s1
InChIKeyMJHSCZLPVWNOPZ-LJQANCHMSA-N
MW478.55 g/mol
LogP3.57
Rot. Bonds8

About [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone

[(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone (PubChem CID 138708790) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
PubChem CID138708790
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Name[(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
SMILESCOC[C@H]1CN(c2cnc(C)cc2OC)CCN1C(=O)c1cc(OC)c(Oc2ccccc2)cn1
InChIInChI=1S/C26H30N4O5/c1-18-12-23(33-3)22(14-27-18)29-10-11-30(19(16-29)17-32-2)26(31)21-13-24(34-4)25(15-28-21)35-20-8-6-5-7-9-20/h5-9,12-15,19H,10-11,16-17H2,1-4H3/t19-/m1/s1
InChIKeyMJHSCZLPVWNOPZ-LJQANCHMSA-N
XLogP3.57
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone?
The IUPAC name of [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone (CID 138708790) is [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone?
The canonical SMILES for [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone is COC[C@H]1CN(c2cnc(C)cc2OC)CCN1C(=O)c1cc(OC)c(Oc2ccccc2)cn1.
What is the InChIKey of [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone?
The InChIKey is MJHSCZLPVWNOPZ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-18-12-23(33-3)22(14-27-18)29-10-11-30(19(16-29)17-32-2)26(31)21-13-24(34-4)25(15-28-21)35-20-8-6-5-7-9-20/h5-9,12-15,19H,10-11,16-17H2,1-4H3/t19-/m1/s1.
What are the key properties of [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone?
[(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone has a molecular weight of 478.55 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methoxymethyl)-4-(4-methoxy-6-methyl-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone is sourced from PubChem (CID 138708790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).