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

C22H25N5O4 — CID 121161440

IUPAC[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3cc(-c4ccccc4OC)nn3C)CC2)n1
InChIInChI=1S/C22H25N5O4/c1-26-18(14-17(25-26)16-6-4-5-7-19(16)29-2)21(28)27-12-9-15(10-13-27)31-20-8-11-23-22(24-20)30-3/h4-8,11,14-15H,9-10,12-13H2,1-3H3
InChIKeyOCWMNXMEBRXFFN-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.58
Rot. Bonds6

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

[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 121161440) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID121161440
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3cc(-c4ccccc4OC)nn3C)CC2)n1
InChIInChI=1S/C22H25N5O4/c1-26-18(14-17(25-26)16-6-4-5-7-19(16)29-2)21(28)27-12-9-15(10-13-27)31-20-8-11-23-22(24-20)30-3/h4-8,11,14-15H,9-10,12-13H2,1-3H3
InChIKeyOCWMNXMEBRXFFN-UHFFFAOYSA-N
XLogP2.58
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 121161440) is [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is COc1nccc(OC2CCN(C(=O)c3cc(-c4ccccc4OC)nn3C)CC2)n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is OCWMNXMEBRXFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-26-18(14-17(25-26)16-6-4-5-7-19(16)29-2)21(28)27-12-9-15(10-13-27)31-20-8-11-23-22(24-20)30-3/h4-8,11,14-15H,9-10,12-13H2,1-3H3.
What are the key properties of [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121161440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).