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

C25H26N6O3 — CID 138584907

IUPAC4-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4ccc(O)cc4)C4CCN(C)CC4)n3)c2)o1
InChIInChI=1S/C25H26N6O3/c1-17-26-27-24(34-17)19-4-3-5-21(16-19)30-15-12-23(28-30)31(20-10-13-29(2)14-11-20)25(33)18-6-8-22(32)9-7-18/h3-9,12,15-16,20,32H,10-11,13-14H2,1-2H3
InChIKeyBFRPJXQVNWMCCZ-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.68
Rot. Bonds5

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

4-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 138584907) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID138584907
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name4-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4ccc(O)cc4)C4CCN(C)CC4)n3)c2)o1
InChIInChI=1S/C25H26N6O3/c1-17-26-27-24(34-17)19-4-3-5-21(16-19)30-15-12-23(28-30)31(20-10-13-29(2)14-11-20)25(33)18-6-8-22(32)9-7-18/h3-9,12,15-16,20,32H,10-11,13-14H2,1-2H3
InChIKeyBFRPJXQVNWMCCZ-UHFFFAOYSA-N
XLogP3.68
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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 153
CID 138585013
US10577360, Example 138
CID 138585047
US10577360, Example 142
CID 132010749
US10577360, Example 150
CID 132036106
US10577360, Example 29
CID 138584879
US10577360, Example 156
CID 138585032

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-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 4-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide (CID 138584907) is 4-hydroxy-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 4-hydroxy-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 4-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide is Cc1nnc(-c2cccc(-n3ccc(N(C(=O)c4ccc(O)cc4)C4CCN(C)CC4)n3)c2)o1.
What is the InChIKey of 4-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is BFRPJXQVNWMCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-17-26-27-24(34-17)19-4-3-5-21(16-19)30-15-12-23(28-30)31(20-10-13-29(2)14-11-20)25(33)18-6-8-22(32)9-7-18/h3-9,12,15-16,20,32H,10-11,13-14H2,1-2H3.
What are the key properties of 4-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide?
4-hydroxy-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 458.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-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 138584907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).