N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide

C19H23F6N5O2 — CID 11442719

IUPACN-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC(C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H23F6N5O2/c1-17(18(20,21)22,19(23,24)25)16(32)30-10-8-29(9-11-30)14-5-4-13(27-28-14)15(31)26-7-6-12-2-3-12/h4-5,12H,2-3,6-11H2,1H3,(H,26,31)
InChIKeyOXYOAVSPJRYTSY-UHFFFAOYSA-N
MW467.41 g/mol
LogP2.79
Rot. Bonds6

About N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide

N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11442719) has the molecular formula C19H23F6N5O2 and a molecular weight of 467.41 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11442719
Molecular FormulaC19H23F6N5O2
Molecular Weight467.41 g/mol
Exact Mass467.18
IUPAC NameN-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC(C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H23F6N5O2/c1-17(18(20,21)22,19(23,24)25)16(32)30-10-8-29(9-11-30)14-5-4-13(27-28-14)15(31)26-7-6-12-2-3-12/h4-5,12H,2-3,6-11H2,1H3,(H,26,31)
InChIKeyOXYOAVSPJRYTSY-UHFFFAOYSA-N
XLogP2.79
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide (CID 11442719) is N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide is CC(C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is OXYOAVSPJRYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F6N5O2/c1-17(18(20,21)22,19(23,24)25)16(32)30-10-8-29(9-11-30)14-5-4-13(27-28-14)15(31)26-7-6-12-2-3-12/h4-5,12H,2-3,6-11H2,1H3,(H,26,31).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 467.41 g/mol, XLogP of 2.79, 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-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11442719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).