4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine

C25H25FN6O — CID 78324069

IUPAC4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(N2CCNCC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C25H25FN6O/c1-33-24-14-19(31-12-10-28-11-13-31)6-7-20(24)22-16-29-25(27)15-21(22)23-8-9-30-32(23)18-4-2-17(26)3-5-18/h2-9,14-16,28H,10-13H2,1H3,(H2,27,29)
InChIKeyICXOSJRLUDJPBH-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.74
Rot. Bonds5

About 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine

4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 78324069) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID78324069
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(N2CCNCC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C25H25FN6O/c1-33-24-14-19(31-12-10-28-11-13-31)6-7-20(24)22-16-29-25(27)15-21(22)23-8-9-30-32(23)18-4-2-17(26)3-5-18/h2-9,14-16,28H,10-13H2,1H3,(H2,27,29)
InChIKeyICXOSJRLUDJPBH-UHFFFAOYSA-N
XLogP3.74
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine with MolForge

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Related Compounds

6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride
CID 174770617
1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole
CID 57259572
5-(4-fluorophenyl)-4-methoxypyridin-2-amine
CID 171390992
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
2-methoxy-4-piperazin-1-ylphenol
CID 24820540
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444
1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
CID 153409932
3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 162663760
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine (CID 78324069) is 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine is COc1cc(N2CCNCC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is ICXOSJRLUDJPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-33-24-14-19(31-12-10-28-11-13-31)6-7-20(24)22-16-29-25(27)15-21(22)23-8-9-30-32(23)18-4-2-17(26)3-5-18/h2-9,14-16,28H,10-13H2,1H3,(H2,27,29).
What are the key properties of 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 444.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 78324069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).