2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide

C17H24ClF2N5O2 — CID 171999651

IUPAC2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(CN1CCN(c2cnn(CC(F)F)c(=O)c2Cl)CC1)NC1CCCC1
InChIInChI=1S/C17H24ClF2N5O2/c18-16-13(9-21-25(17(16)27)10-14(19)20)24-7-5-23(6-8-24)11-15(26)22-12-3-1-2-4-12/h9,12,14H,1-8,10-11H2,(H,22,26)
InChIKeyPHTHSSFQHDKZRK-UHFFFAOYSA-N
MW403.86 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide

2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide (PubChem CID 171999651) has the molecular formula C17H24ClF2N5O2 and a molecular weight of 403.86 g/mol. Its IUPAC name is 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide
PubChem CID171999651
Molecular FormulaC17H24ClF2N5O2
Molecular Weight403.86 g/mol
Exact Mass403.16
IUPAC Name2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(CN1CCN(c2cnn(CC(F)F)c(=O)c2Cl)CC1)NC1CCCC1
InChIInChI=1S/C17H24ClF2N5O2/c18-16-13(9-21-25(17(16)27)10-14(19)20)24-7-5-23(6-8-24)11-15(26)22-12-3-1-2-4-12/h9,12,14H,1-8,10-11H2,(H,22,26)
InChIKeyPHTHSSFQHDKZRK-UHFFFAOYSA-N
XLogP1.34
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.86
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide (CID 171999651) is 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide is O=C(CN1CCN(c2cnn(CC(F)F)c(=O)c2Cl)CC1)NC1CCCC1.
What is the InChIKey of 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide?
The InChIKey is PHTHSSFQHDKZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClF2N5O2/c18-16-13(9-21-25(17(16)27)10-14(19)20)24-7-5-23(6-8-24)11-15(26)22-12-3-1-2-4-12/h9,12,14H,1-8,10-11H2,(H,22,26).
What are the key properties of 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide?
2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide has a molecular weight of 403.86 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 171999651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).