3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine

C17H17F2N7 — CID 166605247

IUPAC3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESFc1cncc(F)c1CN1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C17H17F2N7/c18-14-10-20-11-15(19)13(14)12-24-6-8-25(9-7-24)16-2-3-17(23-22-16)26-5-1-4-21-26/h1-5,10-11H,6-9,12H2
InChIKeyALMORZRERJXAOK-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.66
Rot. Bonds4

About 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine

3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine (PubChem CID 166605247) has the molecular formula C17H17F2N7 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
PubChem CID166605247
Molecular FormulaC17H17F2N7
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESFc1cncc(F)c1CN1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C17H17F2N7/c18-14-10-20-11-15(19)13(14)12-24-6-8-25(9-7-24)16-2-3-17(23-22-16)26-5-1-4-21-26/h1-5,10-11H,6-9,12H2
InChIKeyALMORZRERJXAOK-UHFFFAOYSA-N
XLogP1.66
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 166605280
3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 154575990
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 166604877
3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol
CID 84584722
5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942753
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581240
2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine
CID 166604798
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine (CID 166605247) is 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine is Fc1cncc(F)c1CN1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The InChIKey is ALMORZRERJXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7/c18-14-10-20-11-15(19)13(14)12-24-6-8-25(9-7-24)16-2-3-17(23-22-16)26-5-1-4-21-26/h1-5,10-11H,6-9,12H2.
What are the key properties of 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine has a molecular weight of 357.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 166605247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).