6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

C21H23ClFN5O2 — CID 11453250

IUPAC6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)nn1
InChIInChI=1S/C21H23ClFN5O2/c22-17-4-3-15(23)13-16(17)21(30)28-11-9-27(10-12-28)19-6-5-18(25-26-19)20(29)24-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,24,29)
InChIKeyLMLXNRYGWLSELC-UHFFFAOYSA-N
MW431.90 g/mol
LogP2.76
Rot. Bonds6

About 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (PubChem CID 11453250) has the molecular formula C21H23ClFN5O2 and a molecular weight of 431.90 g/mol. Its IUPAC name is 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
PubChem CID11453250
Molecular FormulaC21H23ClFN5O2
Molecular Weight431.90 g/mol
Exact Mass431.15
IUPAC Name6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)nn1
InChIInChI=1S/C21H23ClFN5O2/c22-17-4-3-15(23)13-16(17)21(30)28-11-9-27(10-12-28)19-6-5-18(25-26-19)20(29)24-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,24,29)
InChIKeyLMLXNRYGWLSELC-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-FLUORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11178786
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (4-CYCLOPROPYLBUTYL)AMIDE
CID 11178995
6-[4-(2,5-BIS-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11191545
6-[4-(4-FLUORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11202128
6-[4-(5-CHLORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11271611
6-[4-(2-METHYLCYCLOHEXANECARBONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11338533
6-[4-(2-DIMETHYLAMINOBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11339214
6-[4-(2,5-DIMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11350306
6-[4-(2,5-Dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid (2-cyclopropylethyl)amide
CID 11408261
N-(2-cyclopropylethyl)-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 11487680
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-CYCLOPROPYLPROPYL)AMIDE
CID 11488029
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Pentylamide
CID 11698083

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (CID 11453250) is 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)nn1.
What is the InChIKey of 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The InChIKey is LMLXNRYGWLSELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN5O2/c22-17-4-3-15(23)13-16(17)21(30)28-11-9-27(10-12-28)19-6-5-18(25-26-19)20(29)24-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,24,29).
What are the key properties of 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide has a molecular weight of 431.90 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 11453250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).