[5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C23H26N4O3 — CID 71561500

IUPAC[5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOc1cccc(Oc2c(C(=O)N3CCCCC3c3cccnc3)c(C)nn2C)c1
InChIInChI=1S/C23H26N4O3/c1-16-21(23(26(2)25-16)30-19-10-6-9-18(14-19)29-3)22(28)27-13-5-4-11-20(27)17-8-7-12-24-15-17/h6-10,12,14-15,20H,4-5,11,13H2,1-3H3
InChIKeyRQKKCIFUDOPIAK-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.29
Rot. Bonds5

About [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 71561500) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID71561500
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name[5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOc1cccc(Oc2c(C(=O)N3CCCCC3c3cccnc3)c(C)nn2C)c1
InChIInChI=1S/C23H26N4O3/c1-16-21(23(26(2)25-16)30-19-10-6-9-18(14-19)29-3)22(28)27-13-5-4-11-20(27)17-8-7-12-24-15-17/h6-10,12,14-15,20H,4-5,11,13H2,1-3H3
InChIKeyRQKKCIFUDOPIAK-UHFFFAOYSA-N
XLogP4.29
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 71561500) is [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is COc1cccc(Oc2c(C(=O)N3CCCCC3c3cccnc3)c(C)nn2C)c1.
What is the InChIKey of [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is RQKKCIFUDOPIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-21(23(26(2)25-16)30-19-10-6-9-18(14-19)29-3)22(28)27-13-5-4-11-20(27)17-8-7-12-24-15-17/h6-10,12,14-15,20H,4-5,11,13H2,1-3H3.
What are the key properties of [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 406.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71561500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).