6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide

C28H31F3N6O3 — CID 169272181

IUPAC6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide
SMILESCCOc1cncc(-c2cc(C(=O)N3CCN(c4ccc(C(=O)N(CC)CC)nn4)CC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H31F3N6O3/c1-4-35(5-2)27(39)24-7-8-25(34-33-24)36-9-11-37(12-10-36)26(38)20-13-19(14-22(15-20)28(29,30)31)21-16-23(40-6-3)18-32-17-21/h7-8,13-18H,4-6,9-12H2,1-3H3
InChIKeyPLCBKPAYSKAJIA-UHFFFAOYSA-N
MW556.59 g/mol
LogP4.40
Rot. Bonds8

About 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide

6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide (PubChem CID 169272181) has the molecular formula C28H31F3N6O3 and a molecular weight of 556.59 g/mol. Its IUPAC name is 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide
PubChem CID169272181
Molecular FormulaC28H31F3N6O3
Molecular Weight556.59 g/mol
Exact Mass556.24
IUPAC Name6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide
SMILESCCOc1cncc(-c2cc(C(=O)N3CCN(c4ccc(C(=O)N(CC)CC)nn4)CC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H31F3N6O3/c1-4-35(5-2)27(39)24-7-8-25(34-33-24)36-9-11-37(12-10-36)26(38)20-13-19(14-22(15-20)28(29,30)31)21-16-23(40-6-3)18-32-17-21/h7-8,13-18H,4-6,9-12H2,1-3H3
InChIKeyPLCBKPAYSKAJIA-UHFFFAOYSA-N
XLogP4.40
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.59
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide 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

6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide
CID 169271767
6-[4-[3-[4-(5-ethoxy-3-pyridinyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 169271396
6-[4-[[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169272991
6-[4-[3-tert-butyl-5-(5-ethoxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-[4-(2-phenylsulfanylethylamino)-3-(trifluoromethyl)phenyl]sulfonylpyridazine-3-carboxamide
CID 169271479
N-tert-butylsulfonyl-4-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
CID 169271964
N-(1-adamantylmethyl)-6-[4-[3-[2-(5-ethoxy-3-pyridinyl)ethynyl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 169271285
6-[4-[4-(5-ethoxy-3-pyridinyl)thiophene-2-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169271143
6-[4-[3-[4-(3-ethoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 169273106
6-[4-[3-[4-(5-ethoxy-3-pyridinyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylpyridazine-3-carboxamide
CID 169272190
4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide
CID 169273045
6-[4-[[3-ethoxy-5-(3-hydroxyphenyl)phenyl]methyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide
CID 169272691
6-[4-[4-(3-ethoxyphenyl)-3-methylbenzoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 169273211

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide (CID 169272181) is 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide is CCOc1cncc(-c2cc(C(=O)N3CCN(c4ccc(C(=O)N(CC)CC)nn4)CC3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide?
The InChIKey is PLCBKPAYSKAJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N6O3/c1-4-35(5-2)27(39)24-7-8-25(34-33-24)36-9-11-37(12-10-36)26(38)20-13-19(14-22(15-20)28(29,30)31)21-16-23(40-6-3)18-32-17-21/h7-8,13-18H,4-6,9-12H2,1-3H3.
What are the key properties of 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide?
6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide has a molecular weight of 556.59 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide is sourced from PubChem (CID 169272181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).