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

C21H23F2N5O2 — CID 11223757

IUPACN-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)nn1
InChIInChI=1S/C21H23F2N5O2/c22-15-3-4-17(23)16(13-15)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)
InChIKeyJTBDXEGRUZRAST-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.25
Rot. Bonds6

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

N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11223757) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11223757
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC NameN-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)nn1
InChIInChI=1S/C21H23F2N5O2/c22-15-3-4-17(23)16(13-15)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)
InChIKeyJTBDXEGRUZRAST-UHFFFAOYSA-N
XLogP2.25
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-{4-[(4-Cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
CID 142616992
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
6-[4-(3,3,3-TRIFLUORO-2-METHYL-2-TRIFLUOROMETHYLPROPIONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11442719
6-[4-(2-CHLORO-5-FLUOROBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11453250

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 11223757) is N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide is O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)nn1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is JTBDXEGRUZRAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c22-15-3-4-17(23)16(13-15)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 N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-6-[4-(2,5-difluorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11223757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).