3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide

C26H28N6O3 — CID 138585047

IUPAC3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cccc(C(=O)N(c2ccn(-c3cccc(-c4nnc(C)o4)c3)n2)C2CCN(C)CC2)c1
InChIInChI=1S/C26H28N6O3/c1-18-27-28-25(35-18)19-6-4-8-22(16-19)31-15-12-24(29-31)32(21-10-13-30(2)14-11-21)26(33)20-7-5-9-23(17-20)34-3/h4-9,12,15-17,21H,10-11,13-14H2,1-3H3
InChIKeyQCPMFNYNNADDEN-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.98
Rot. Bonds6

About 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide

3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 138585047) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID138585047
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cccc(C(=O)N(c2ccn(-c3cccc(-c4nnc(C)o4)c3)n2)C2CCN(C)CC2)c1
InChIInChI=1S/C26H28N6O3/c1-18-27-28-25(35-18)19-6-4-8-22(16-19)31-15-12-24(29-31)32(21-10-13-30(2)14-11-21)26(33)20-7-5-9-23(17-20)34-3/h4-9,12,15-17,21H,10-11,13-14H2,1-3H3
InChIKeyQCPMFNYNNADDEN-UHFFFAOYSA-N
XLogP3.98
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

US10577360, Example 4
CID 132036118
US10577360, Example 51
CID 132010003
US10577360, Example 50
CID 132010325
US10577360, Example 111
CID 132036032
US10577360, Example 26
CID 132036134
US10577360, Example 120
CID 132036171
US10577360, Example 144
CID 138584728
US10577360, Example 44
CID 138584988
US10577360, Example 153
CID 138585013
US10577360, Example 142
CID 132010749
US10577360, Example 150
CID 132036106
US10577360, Example 29
CID 138584879

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide (CID 138585047) is 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide is COc1cccc(C(=O)N(c2ccn(-c3cccc(-c4nnc(C)o4)c3)n2)C2CCN(C)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is QCPMFNYNNADDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-18-27-28-25(35-18)19-6-4-8-22(16-19)31-15-12-24(29-31)32(21-10-13-30(2)14-11-21)26(33)20-7-5-9-23(17-20)34-3/h4-9,12,15-17,21H,10-11,13-14H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide?
3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 472.55 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 138585047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).