6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine

C37H40N4O3 — CID 143437430

IUPAC6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine
SMILESCOc1ccc(-c2nnc(CCCC3CCN(Cc4ccc(OCc5ccncc5)cc4)CC3)c3cc(OC)ccc23)cc1
InChIInChI=1S/C37H40N4O3/c1-42-31-12-8-30(9-13-31)37-34-15-14-33(43-2)24-35(34)36(39-40-37)5-3-4-27-18-22-41(23-19-27)25-28-6-10-32(11-7-28)44-26-29-16-20-38-21-17-29/h6-17,20-21,24,27H,3-5,18-19,22-23,25-26H2,1-2H3
InChIKeyDAMJUCMHYKKRFR-UHFFFAOYSA-N
MW588.75 g/mol
LogP7.52
Rot. Bonds12

About 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine

6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine (PubChem CID 143437430) has the molecular formula C37H40N4O3 and a molecular weight of 588.75 g/mol. Its IUPAC name is 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine.

Molecular Properties

Compound Name6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine
PubChem CID143437430
Molecular FormulaC37H40N4O3
Molecular Weight588.75 g/mol
Exact Mass588.31
IUPAC Name6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine
SMILESCOc1ccc(-c2nnc(CCCC3CCN(Cc4ccc(OCc5ccncc5)cc4)CC3)c3cc(OC)ccc23)cc1
InChIInChI=1S/C37H40N4O3/c1-42-31-12-8-30(9-13-31)37-34-15-14-33(43-2)24-35(34)36(39-40-37)5-3-4-27-18-22-41(23-19-27)25-28-6-10-32(11-7-28)44-26-29-16-20-38-21-17-29/h6-17,20-21,24,27H,3-5,18-19,22-23,25-26H2,1-2H3
InChIKeyDAMJUCMHYKKRFR-UHFFFAOYSA-N
XLogP7.52
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine with MolForge

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Related Compounds

7-methoxy-4-(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phthalazin-1-amine
CID 69213049
3-[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propyl]-6-phenylmethoxy-1,2-benzoxazole
CID 22068220
N-[1-[[4-(2-aminopropan-2-yl)phenyl]methyl]piperidin-4-yl]-7-methoxy-4-(4-methoxyphenyl)phthalazin-1-amine
CID 69211571
7-methoxy-4-(4-methoxyphenyl)-N-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]phthalazin-1-amine;trihydrochloride
CID 68918799
7-methoxy-4-(4-methoxyphenyl)-N-[1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]piperidin-4-yl]phthalazin-1-amine;trihydrochloride
CID 68922149
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 69209047
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-(4-methoxyphenyl)phthalazin-1-amine;dihydrochloride
CID 69214026
N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride
CID 69213082
7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
CID 69210826
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-(4-phenylphenyl)phthalazin-1-amine;dihydrochloride
CID 69209038

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine?
The IUPAC name of 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine (CID 143437430) is 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine.
What is the SMILES notation for 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine?
The canonical SMILES for 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine is COc1ccc(-c2nnc(CCCC3CCN(Cc4ccc(OCc5ccncc5)cc4)CC3)c3cc(OC)ccc23)cc1.
What is the InChIKey of 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine?
The InChIKey is DAMJUCMHYKKRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O3/c1-42-31-12-8-30(9-13-31)37-34-15-14-33(43-2)24-35(34)36(39-40-37)5-3-4-27-18-22-41(23-19-27)25-28-6-10-32(11-7-28)44-26-29-16-20-38-21-17-29/h6-17,20-21,24,27H,3-5,18-19,22-23,25-26H2,1-2H3.
What are the key properties of 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine?
6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine has a molecular weight of 588.75 g/mol, XLogP of 7.52, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methoxyphenyl)-4-[3-[1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-4-yl]propyl]phthalazine is sourced from PubChem (CID 143437430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).