[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone

C25H27FN4O4 — CID 138675009

IUPAC[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cnc(N)cc3OC)CC2)ncc1OCc1ccc(F)cc1
InChIInChI=1S/C25H27FN4O4/c1-32-21-12-24(27)29-13-19(21)17-7-9-30(10-8-17)25(31)20-11-22(33-2)23(14-28-20)34-15-16-3-5-18(26)6-4-16/h3-6,11-14,17H,7-10,15H2,1-2H3,(H2,27,29)
InChIKeyCPWNWAPWEQSIJF-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.81
Rot. Bonds7

About [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone

[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone (PubChem CID 138675009) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone
PubChem CID138675009
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cnc(N)cc3OC)CC2)ncc1OCc1ccc(F)cc1
InChIInChI=1S/C25H27FN4O4/c1-32-21-12-24(27)29-13-19(21)17-7-9-30(10-8-17)25(31)20-11-22(33-2)23(14-28-20)34-15-16-3-5-18(26)6-4-16/h3-6,11-14,17H,7-10,15H2,1-2H3,(H2,27,29)
InChIKeyCPWNWAPWEQSIJF-UHFFFAOYSA-N
XLogP3.81
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone
CID 175421877
[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265048
[5-[(2-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265069
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol
CID 159154644
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride
CID 159550160
[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
CID 176715559
[4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone
CID 175421866
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenoxy)-2-pyridinyl]methanone
CID 138674698
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
CID 138674755
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone?
The IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone (CID 138675009) is [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone.
What is the SMILES notation for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone?
The canonical SMILES for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone is COc1cc(C(=O)N2CCC(c3cnc(N)cc3OC)CC2)ncc1OCc1ccc(F)cc1.
What is the InChIKey of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone?
The InChIKey is CPWNWAPWEQSIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-32-21-12-24(27)29-13-19(21)17-7-9-30(10-8-17)25(31)20-11-22(33-2)23(14-28-20)34-15-16-3-5-18(26)6-4-16/h3-6,11-14,17H,7-10,15H2,1-2H3,(H2,27,29).
What are the key properties of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone?
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone has a molecular weight of 466.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone is sourced from PubChem (CID 138675009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).