2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile

C19H18FN7 — CID 171334843

IUPAC2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile
SMILESCc1ccn(-c2ccc(N3CCN(c4ccc(C#N)c(F)c4)CC3)nn2)n1
InChIInChI=1S/C19H18FN7/c1-14-6-7-27(24-14)19-5-4-18(22-23-19)26-10-8-25(9-11-26)16-3-2-15(13-21)17(20)12-16/h2-7,12H,8-11H2,1H3
InChIKeyNHUOKGXKPUZZHD-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.31
Rot. Bonds3

About 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile

2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile (PubChem CID 171334843) has the molecular formula C19H18FN7 and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile
PubChem CID171334843
Molecular FormulaC19H18FN7
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile
SMILESCc1ccn(-c2ccc(N3CCN(c4ccc(C#N)c(F)c4)CC3)nn2)n1
InChIInChI=1S/C19H18FN7/c1-14-6-7-27(24-14)19-5-4-18(22-23-19)26-10-8-25(9-11-26)16-3-2-15(13-21)17(20)12-16/h2-7,12H,8-11H2,1H3
InChIKeyNHUOKGXKPUZZHD-UHFFFAOYSA-N
XLogP2.31
TPSA73.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334859
(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345832
4-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-fluorobenzonitrile
CID 171334594
2-fluoro-4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]benzonitrile
CID 171690574
3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122345898
3-(3-fluoro-2,5-dihydropyrrol-1-yl)-6-(3-methylpyrazol-1-yl)pyridazine
CID 166313785
N-(2-fluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56920257
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-fluorobenzonitrile
CID 115367471
2-fluoro-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzonitrile
CID 115367570
6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 133422395
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122345938

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile (CID 171334843) is 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile is Cc1ccn(-c2ccc(N3CCN(c4ccc(C#N)c(F)c4)CC3)nn2)n1.
What is the InChIKey of 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile?
The InChIKey is NHUOKGXKPUZZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7/c1-14-6-7-27(24-14)19-5-4-18(22-23-19)26-10-8-25(9-11-26)16-3-2-15(13-21)17(20)12-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile?
2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile has a molecular weight of 363.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 171334843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).