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

C27H30N6O3 — CID 138585168

IUPAC3-ethoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCOc1cccc(C(=O)N(c2ccn(-c3cccc(-c4nnc(C)o4)c3)n2)C2CCN(C)CC2)c1
InChIInChI=1S/C27H30N6O3/c1-4-35-24-10-6-8-21(18-24)27(34)33(22-11-14-31(3)15-12-22)25-13-16-32(30-25)23-9-5-7-20(17-23)26-29-28-19(2)36-26/h5-10,13,16-18,22H,4,11-12,14-15H2,1-3H3
InChIKeyFEKHPBGSSKMMSP-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.37
Rot. Bonds7

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

3-ethoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 138585168) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 3-ethoxy-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-ethoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID138585168
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name3-ethoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCOc1cccc(C(=O)N(c2ccn(-c3cccc(-c4nnc(C)o4)c3)n2)C2CCN(C)CC2)c1
InChIInChI=1S/C27H30N6O3/c1-4-35-24-10-6-8-21(18-24)27(34)33(22-11-14-31(3)15-12-22)25-13-16-32(30-25)23-9-5-7-20(17-23)26-29-28-19(2)36-26/h5-10,13,16-18,22H,4,11-12,14-15H2,1-3H3
InChIKeyFEKHPBGSSKMMSP-UHFFFAOYSA-N
XLogP4.37
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[3-(dimethylamino)phenyl]ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 122177983
3-[2-[3-(diethylamino)phenyl]ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 122177984
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[2-[3-(2-pyrrolidin-1-ylethylamino)phenyl]ethynyl]benzamide
CID 122177985
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[2-[3-(2-piperidin-1-ylethylamino)phenyl]ethynyl]benzamide
CID 122177986
N-{1-[1-(3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24791326
US10577360, Example 4
CID 132036118
US10577360, Example 51
CID 132010003
US10577360, Example 50
CID 132010325
US10577360, Example 111
CID 132036032
US10577360, Example 14
CID 132036126
US10577360, Example 26
CID 132036134
US10577360, Example 120
CID 132036171

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-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-ethoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide (CID 138585168) is 3-ethoxy-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-ethoxy-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-ethoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide is CCOc1cccc(C(=O)N(c2ccn(-c3cccc(-c4nnc(C)o4)c3)n2)C2CCN(C)CC2)c1.
What is the InChIKey of 3-ethoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is FEKHPBGSSKMMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-4-35-24-10-6-8-21(18-24)27(34)33(22-11-14-31(3)15-12-22)25-13-16-32(30-25)23-9-5-7-20(17-23)26-29-28-19(2)36-26/h5-10,13,16-18,22H,4,11-12,14-15H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)benzamide?
3-ethoxy-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 486.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-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 138585168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).