6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide

C17H17ClFN5O2 — CID 133343668

IUPAC6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nn1
InChIInChI=1S/C17H17ClFN5O2/c1-20-16(25)14-4-5-15(22-21-14)23-6-8-24(9-7-23)17(26)12-3-2-11(18)10-13(12)19/h2-5,10H,6-9H2,1H3,(H,20,25)
InChIKeyVTADTOJCSPVZNT-UHFFFAOYSA-N
MW377.81 g/mol
LogP1.59
Rot. Bonds3

About 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide

6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 133343668) has the molecular formula C17H17ClFN5O2 and a molecular weight of 377.81 g/mol. Its IUPAC name is 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID133343668
Molecular FormulaC17H17ClFN5O2
Molecular Weight377.81 g/mol
Exact Mass377.11
IUPAC Name6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nn1
InChIInChI=1S/C17H17ClFN5O2/c1-20-16(25)14-4-5-15(22-21-14)23-6-8-24(9-7-23)17(26)12-3-2-11(18)10-13(12)19/h2-5,10H,6-9H2,1H3,(H,20,25)
InChIKeyVTADTOJCSPVZNT-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66850011
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034163
(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636
(4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 133457439
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349
N-(3-fluoro-2-methylphenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 25096737
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
(2,4-difluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145840
N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116280
6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849794

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide (CID 133343668) is 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nn1.
What is the InChIKey of 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is VTADTOJCSPVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O2/c1-20-16(25)14-4-5-15(22-21-14)23-6-8-24(9-7-23)17(26)12-3-2-11(18)10-13(12)19/h2-5,10H,6-9H2,1H3,(H,20,25).
What are the key properties of 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 377.81 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133343668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).