(3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone

C16H21N5O3 — CID 122260861

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCCC(Oc2ccnc(C)n2)C1
InChIInChI=1S/C16H21N5O3/c1-11-17-7-6-14(18-11)24-12-5-4-8-21(9-12)16(22)13-10-20(2)19-15(13)23-3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyNHGZYVRUPLEVDC-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.21
Rot. Bonds4

About (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone

(3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 122260861) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID122260861
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCCC(Oc2ccnc(C)n2)C1
InChIInChI=1S/C16H21N5O3/c1-11-17-7-6-14(18-11)24-12-5-4-8-21(9-12)16(22)13-10-20(2)19-15(13)23-3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyNHGZYVRUPLEVDC-UHFFFAOYSA-N
XLogP1.21
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 122260861) is (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is COc1nn(C)cc1C(=O)N1CCCC(Oc2ccnc(C)n2)C1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is NHGZYVRUPLEVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-17-7-6-14(18-11)24-12-5-4-8-21(9-12)16(22)13-10-20(2)19-15(13)23-3/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
(3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 331.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122260861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).