2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one

C17H25F2N5O2 — CID 172901162

IUPAC2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCC(N2CCN(c3cnn(CC(F)F)c(=O)c3)CC2)C1=O
InChIInChI=1S/C17H25F2N5O2/c1-12(2)23-4-3-14(17(23)26)22-7-5-21(6-8-22)13-9-16(25)24(20-10-13)11-15(18)19/h9-10,12,14-15H,3-8,11H2,1-2H3
InChIKeyUTSUFLAKEKHKEE-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.64
Rot. Bonds5

About 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one

2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one (PubChem CID 172901162) has the molecular formula C17H25F2N5O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one
PubChem CID172901162
Molecular FormulaC17H25F2N5O2
Molecular Weight369.42 g/mol
Exact Mass369.20
IUPAC Name2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCC(N2CCN(c3cnn(CC(F)F)c(=O)c3)CC2)C1=O
InChIInChI=1S/C17H25F2N5O2/c1-12(2)23-4-3-14(17(23)26)22-7-5-21(6-8-22)13-9-16(25)24(20-10-13)11-15(18)19/h9-10,12,14-15H,3-8,11H2,1-2H3
InChIKeyUTSUFLAKEKHKEE-UHFFFAOYSA-N
XLogP0.64
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one (CID 172901162) is 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one is CC(C)N1CCC(N2CCN(c3cnn(CC(F)F)c(=O)c3)CC2)C1=O.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is UTSUFLAKEKHKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N5O2/c1-12(2)23-4-3-14(17(23)26)22-7-5-21(6-8-22)13-9-16(25)24(20-10-13)11-15(18)19/h9-10,12,14-15H,3-8,11H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one?
2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 369.42 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5-[4-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 172901162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).