[6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride

C45H45Cl2N3O4 — CID 67327341

IUPAC[6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCC(C)c1ccc(OCCc2ccc(CN3CCN(C(=O)c4ccc5cc(Oc6ccc(OCc7ccccc7Cl)cn6)ccc5c4)CC3)cc2)cc1.Cl
InChIInChI=1S/C45H44ClN3O4.ClH/c1-32(2)35-13-16-40(17-14-35)51-26-21-33-7-9-34(10-8-33)30-48-22-24-49(25-23-48)45(50)38-12-11-37-28-41(18-15-36(37)27-38)53-44-20-19-42(29-47-44)52-31-39-5-3-4-6-43(39)46;/h3-20,27-29,32H,21-26,30-31H2,1-2H3;1H
InChIKeyHNCRSJIMYVOZSU-UHFFFAOYSA-N
MW762.78 g/mol
LogP10.38
Rot. Bonds13

About [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride

[6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 67327341) has the molecular formula C45H45Cl2N3O4 and a molecular weight of 762.78 g/mol. Its IUPAC name is [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID67327341
Molecular FormulaC45H45Cl2N3O4
Molecular Weight762.78 g/mol
Exact Mass761.28
IUPAC Name[6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCC(C)c1ccc(OCCc2ccc(CN3CCN(C(=O)c4ccc5cc(Oc6ccc(OCc7ccccc7Cl)cn6)ccc5c4)CC3)cc2)cc1.Cl
InChIInChI=1S/C45H44ClN3O4.ClH/c1-32(2)35-13-16-40(17-14-35)51-26-21-33-7-9-34(10-8-33)30-48-22-24-49(25-23-48)45(50)38-12-11-37-28-41(18-15-36(37)27-38)53-44-20-19-42(29-47-44)52-31-39-5-3-4-6-43(39)46;/h3-20,27-29,32H,21-26,30-31H2,1-2H3;1H
InChIKeyHNCRSJIMYVOZSU-UHFFFAOYSA-N
XLogP10.38
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.78
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride (CID 67327341) is [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride is CC(C)c1ccc(OCCc2ccc(CN3CCN(C(=O)c4ccc5cc(Oc6ccc(OCc7ccccc7Cl)cn6)ccc5c4)CC3)cc2)cc1.Cl.
What is the InChIKey of [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is HNCRSJIMYVOZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44ClN3O4.ClH/c1-32(2)35-13-16-40(17-14-35)51-26-21-33-7-9-34(10-8-33)30-48-22-24-49(25-23-48)45(50)38-12-11-37-28-41(18-15-36(37)27-38)53-44-20-19-42(29-47-44)52-31-39-5-3-4-6-43(39)46;/h3-20,27-29,32H,21-26,30-31H2,1-2H3;1H.
What are the key properties of [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride?
[6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 762.78 g/mol, XLogP of 10.38, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]naphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 67327341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).