[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate

C24H28F3N5O3 — CID 67418376

IUPAC[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate
SMILESO=C(NCCCCC1CC1)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C24H28F3N5O3/c25-24(26,27)19-7-2-1-6-18(19)22(33)32-15-13-31(14-16-32)20-10-11-21(30-29-20)35-23(34)28-12-4-3-5-17-8-9-17/h1-2,6-7,10-11,17H,3-5,8-9,12-16H2,(H,28,34)
InChIKeyIHAMCMPZRDJSQC-UHFFFAOYSA-N
MW491.51 g/mol
LogP4.13
Rot. Bonds8

About [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate

[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate (PubChem CID 67418376) has the molecular formula C24H28F3N5O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate.

Molecular Properties

Compound Name[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate
PubChem CID67418376
Molecular FormulaC24H28F3N5O3
Molecular Weight491.51 g/mol
Exact Mass491.21
IUPAC Name[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate
SMILESO=C(NCCCCC1CC1)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C24H28F3N5O3/c25-24(26,27)19-7-2-1-6-18(19)22(33)32-15-13-31(14-16-32)20-10-11-21(30-29-20)35-23(34)28-12-4-3-5-17-8-9-17/h1-2,6-7,10-11,17H,3-5,8-9,12-16H2,(H,28,34)
InChIKeyIHAMCMPZRDJSQC-UHFFFAOYSA-N
XLogP4.13
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate 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-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(3-cyclopropylpropyl)carbamate
CID 67420744
[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl] N-(3-cyclohexylpropyl)carbamate
CID 67512570
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-methoxy-3,3-dimethylbutyl)carbamate
CID 67418836
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(3-chloro-4-methylphenyl)carbamate
CID 67420230
4-cyclopropyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]butan-1-one
CID 158967495
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-pyridazin-3-ylcarbamate
CID 67419712
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-fluoro-5-methylphenyl)carbamate
CID 67418605
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-chloro-6-methylphenyl)carbamate
CID 67418186
[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67422287
[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 30774042
N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11698083
[6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 87392314

Frequently Asked Questions

What is the IUPAC name of [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate?
The IUPAC name of [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate (CID 67418376) is [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate.
What is the SMILES notation for [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate?
The canonical SMILES for [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate is O=C(NCCCCC1CC1)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate?
The InChIKey is IHAMCMPZRDJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3/c25-24(26,27)19-7-2-1-6-18(19)22(33)32-15-13-31(14-16-32)20-10-11-21(30-29-20)35-23(34)28-12-4-3-5-17-8-9-17/h1-2,6-7,10-11,17H,3-5,8-9,12-16H2,(H,28,34).
What are the key properties of [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate?
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate has a molecular weight of 491.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate is sourced from PubChem (CID 67418376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).