[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

C21H23N5O4 — CID 121161428

IUPAC[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3cc(-c4ccccc4OC)n[nH]3)CC2)n1
InChIInChI=1S/C21H23N5O4/c1-28-18-6-4-3-5-15(18)16-13-17(25-24-16)20(27)26-11-8-14(9-12-26)30-19-7-10-22-21(23-19)29-2/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,24,25)
InChIKeyDPJNJJLGPBXLFA-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.57
Rot. Bonds6

About [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 121161428) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID121161428
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3cc(-c4ccccc4OC)n[nH]3)CC2)n1
InChIInChI=1S/C21H23N5O4/c1-28-18-6-4-3-5-15(18)16-13-17(25-24-16)20(27)26-11-8-14(9-12-26)30-19-7-10-22-21(23-19)29-2/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,24,25)
InChIKeyDPJNJJLGPBXLFA-UHFFFAOYSA-N
XLogP2.57
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161197
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161440
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162591
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249650
(4-pyrimidin-2-yloxypiperidin-1-yl)-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 90558812
[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 90559476
4-[1-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628763
4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121161619
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
CID 71798583
(2,5-dimethylfuran-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161386

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 121161428) is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is COc1nccc(OC2CCN(C(=O)c3cc(-c4ccccc4OC)n[nH]3)CC2)n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is DPJNJJLGPBXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-28-18-6-4-3-5-15(18)16-13-17(25-24-16)20(27)26-11-8-14(9-12-26)30-19-7-10-22-21(23-19)29-2/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,24,25).
What are the key properties of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 409.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121161428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).