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

C23H25N5O4 — CID 138674918

IUPAC[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cnc(N)cc3OC)CC2)ncc1Oc1ccccc1
InChIInChI=1S/C23H25N5O4/c1-30-19-13-22(24)26-14-18(19)27-8-10-28(11-9-27)23(29)17-12-20(31-2)21(15-25-17)32-16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H2,24,26)
InChIKeyYSICQPGWNRJUSE-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.83
Rot. Bonds6

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

[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone (PubChem CID 138674918) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
PubChem CID138674918
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cnc(N)cc3OC)CC2)ncc1Oc1ccccc1
InChIInChI=1S/C23H25N5O4/c1-30-19-13-22(24)26-14-18(19)27-8-10-28(11-9-27)23(29)17-12-20(31-2)21(15-25-17)32-16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H2,24,26)
InChIKeyYSICQPGWNRJUSE-UHFFFAOYSA-N
XLogP2.83
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

[(2S)-4-[6-amino-4-(methoxymethyl)-3-pyridinyl]-2-(hydroxymethyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
CID 176715562
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
CID 138674755
[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone
CID 155208466
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186297
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109186471
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone
CID 138675009
[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265048
(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310401
tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 138674727
[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109339086
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone?
The IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone (CID 138674918) is [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone is COc1cc(C(=O)N2CCN(c3cnc(N)cc3OC)CC2)ncc1Oc1ccccc1.
What is the InChIKey of [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone?
The InChIKey is YSICQPGWNRJUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-30-19-13-22(24)26-14-18(19)27-8-10-28(11-9-27)23(29)17-12-20(31-2)21(15-25-17)32-16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H2,24,26).
What are the key properties of [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone?
[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone has a molecular weight of 435.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone is sourced from PubChem (CID 138674918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).