6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

C20H19F2N5O — CID 142616827

IUPAC6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)Cc3cc(F)c(C4CC4)c(F)c3)CC2)nn1
InChIInChI=1S/C20H19F2N5O/c21-16-9-13(10-17(22)20(16)14-1-2-14)11-19(28)27-7-5-26(6-8-27)18-4-3-15(12-23)24-25-18/h3-4,9-10,14H,1-2,5-8,11H2
InChIKeyBXYCIYZZXWFMNC-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.40
Rot. Bonds4

About 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 142616827) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID142616827
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)Cc3cc(F)c(C4CC4)c(F)c3)CC2)nn1
InChIInChI=1S/C20H19F2N5O/c21-16-9-13(10-17(22)20(16)14-1-2-14)11-19(28)27-7-5-26(6-8-27)18-4-3-15(12-23)24-25-18/h3-4,9-10,14H,1-2,5-8,11H2
InChIKeyBXYCIYZZXWFMNC-UHFFFAOYSA-N
XLogP2.40
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 142616827) is 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)Cc3cc(F)c(C4CC4)c(F)c3)CC2)nn1.
What is the InChIKey of 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is BXYCIYZZXWFMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-16-9-13(10-17(22)20(16)14-1-2-14)11-19(28)27-7-5-26(6-8-27)18-4-3-15(12-23)24-25-18/h3-4,9-10,14H,1-2,5-8,11H2.
What are the key properties of 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 383.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 142616827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).