N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide

C22H23F4N5O2 — CID 11202128

IUPACN-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C22H23F4N5O2/c23-15-3-4-16(17(13-15)22(24,25)26)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)
InChIKeyRXBOSKCKGPDBKY-UHFFFAOYSA-N
MW465.45 g/mol
LogP3.13
Rot. Bonds6

About N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide

N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11202128) has the molecular formula C22H23F4N5O2 and a molecular weight of 465.45 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11202128
Molecular FormulaC22H23F4N5O2
Molecular Weight465.45 g/mol
Exact Mass465.18
IUPAC NameN-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C22H23F4N5O2/c23-15-3-4-16(17(13-15)22(24,25)26)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)
InChIKeyRXBOSKCKGPDBKY-UHFFFAOYSA-N
XLogP3.13
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-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

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide (CID 11202128) is N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide is O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)nn1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is RXBOSKCKGPDBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O2/c23-15-3-4-16(17(13-15)22(24,25)26)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 465.45 g/mol, XLogP of 3.13, 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-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11202128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).