6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide

C18H20ClF2N5O — CID 133341088

IUPAC6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide
SMILESCCC(c1ccc(F)cc1F)N1CCN(c2nnc(Cl)cc2C(N)=O)CC1
InChIInChI=1S/C18H20ClF2N5O/c1-2-15(12-4-3-11(20)9-14(12)21)25-5-7-26(8-6-25)18-13(17(22)27)10-16(19)23-24-18/h3-4,9-10,15H,2,5-8H2,1H3,(H2,22,27)
InChIKeyFGUYYHPPGFIHQR-UHFFFAOYSA-N
MW395.84 g/mol
LogP2.78
Rot. Bonds5

About 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide

6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide (PubChem CID 133341088) has the molecular formula C18H20ClF2N5O and a molecular weight of 395.84 g/mol. Its IUPAC name is 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide
PubChem CID133341088
Molecular FormulaC18H20ClF2N5O
Molecular Weight395.84 g/mol
Exact Mass395.13
IUPAC Name6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide
SMILESCCC(c1ccc(F)cc1F)N1CCN(c2nnc(Cl)cc2C(N)=O)CC1
InChIInChI=1S/C18H20ClF2N5O/c1-2-15(12-4-3-11(20)9-14(12)21)25-5-7-26(8-6-25)18-13(17(22)27)10-16(19)23-24-18/h3-4,9-10,15H,2,5-8H2,1H3,(H2,22,27)
InChIKeyFGUYYHPPGFIHQR-UHFFFAOYSA-N
XLogP2.78
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide (CID 133341088) is 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide is CCC(c1ccc(F)cc1F)N1CCN(c2nnc(Cl)cc2C(N)=O)CC1.
What is the InChIKey of 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide?
The InChIKey is FGUYYHPPGFIHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N5O/c1-2-15(12-4-3-11(20)9-14(12)21)25-5-7-26(8-6-25)18-13(17(22)27)10-16(19)23-24-18/h3-4,9-10,15H,2,5-8H2,1H3,(H2,22,27).
What are the key properties of 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide?
6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide has a molecular weight of 395.84 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 133341088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).