2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C22H24N4O4 — CID 24794209

IUPAC2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C22H24N4O4/c1-15-17(10-14-30-15)22(28)25-12-8-16(9-13-25)26-20(7-11-23-26)24-21(27)18-5-3-4-6-19(18)29-2/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,24,27)
InChIKeyDPFGGHSFUYJKFL-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.52
Rot. Bonds5

About 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24794209) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24794209
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C22H24N4O4/c1-15-17(10-14-30-15)22(28)25-12-8-16(9-13-25)26-20(7-11-23-26)24-21(27)18-5-3-4-6-19(18)29-2/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,24,27)
InChIKeyDPFGGHSFUYJKFL-UHFFFAOYSA-N
XLogP3.52
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24794209) is 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2C)CC1.
What is the InChIKey of 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is DPFGGHSFUYJKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-15-17(10-14-30-15)22(28)25-12-8-16(9-13-25)26-20(7-11-23-26)24-21(27)18-5-3-4-6-19(18)29-2/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,24,27).
What are the key properties of 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24794209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).