2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine

C25H25FN6O — CID 42192620

IUPAC2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3cnccn3)CC2)c(F)c1
InChIInChI=1S/C25H25FN6O/c1-33-21-7-8-22(23(26)15-21)25-19(18-32(29-25)20-5-3-2-4-6-20)17-30-11-13-31(14-12-30)24-16-27-9-10-28-24/h2-10,15-16,18H,11-14,17H2,1H3
InChIKeySZSGSYPQAWBKSZ-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.80
Rot. Bonds6

About 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine

2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 42192620) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID42192620
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3cnccn3)CC2)c(F)c1
InChIInChI=1S/C25H25FN6O/c1-33-21-7-8-22(23(26)15-21)25-19(18-32(29-25)20-5-3-2-4-6-20)17-30-11-13-31(14-12-30)24-16-27-9-10-28-24/h2-10,15-16,18H,11-14,17H2,1H3
InChIKeySZSGSYPQAWBKSZ-UHFFFAOYSA-N
XLogP3.80
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine with MolForge

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
Pyridazino(4,3-c)isoquinolin-6-amine, N,N-dimethyl-3-(4-methoxyphenyl)-
CID 13526629
2-Propanol, 1-((3-(4-methoxyphenyl)pyridazino(4,3-c)isoquinolin-6-yl)methylamino)-
CID 13526630
Pyridazino(4,3-c)isoquinoline, 6-(1-azetidinyl)-3-(p-methoxyphenyl)-
CID 13526632
Pyridazino(4,3-c)isoquinoline, 3-(4-methoxyphenyl)-6-(1-pyrrolidinyl)-
CID 13526633
Pyridazino(4,3-c)isoquinoline, 3-(4-methoxyphenyl)-6-(1-piperidinyl)-
CID 13526634
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536613

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine (CID 42192620) is 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine is COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3cnccn3)CC2)c(F)c1.
What is the InChIKey of 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is SZSGSYPQAWBKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-33-21-7-8-22(23(26)15-21)25-19(18-32(29-25)20-5-3-2-4-6-20)17-30-11-13-31(14-12-30)24-16-27-9-10-28-24/h2-10,15-16,18H,11-14,17H2,1H3.
What are the key properties of 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine?
2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 444.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 42192620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).