1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine

C24H25FN6O2S — CID 127050519

IUPAC1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
SMILESCCc1cnc(N2CCC(n3ncc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc43)CC2)nc1
InChIInChI=1S/C24H25FN6O2S/c1-3-16-12-27-24(28-13-16)30-8-6-18(7-9-30)31-23-15-26-22(10-17(23)14-29-31)20-5-4-19(11-21(20)25)34(2,32)33/h4-5,10-15,18H,3,6-9H2,1-2H3
InChIKeyJRWQQVIJNHRANF-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.83
Rot. Bonds5

About 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine

1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine (PubChem CID 127050519) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
PubChem CID127050519
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC Name1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
SMILESCCc1cnc(N2CCC(n3ncc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc43)CC2)nc1
InChIInChI=1S/C24H25FN6O2S/c1-3-16-12-27-24(28-13-16)30-8-6-18(7-9-30)31-23-15-26-22(10-17(23)14-29-31)20-5-4-19(11-21(20)25)34(2,32)33/h4-5,10-15,18H,3,6-9H2,1-2H3
InChIKeyJRWQQVIJNHRANF-UHFFFAOYSA-N
XLogP3.83
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine with MolForge

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Related Compounds

Cep-33779
CID 57336812
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
(6R)-6-methyl-3-(4-methylsulfonylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720613
2-(4-Fluorophenyl)-7-methylthio-3-(4-pyrimidinyl)pyrazolo[1,5-a]pyridine
CID 9945696
N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 10172462
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577894
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)indazole
CID 57405092
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-{3-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-phenyl}-amine
CID 57502387
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-6-methyl-5-(4-methylsulfonylphenyl)indazole
CID 68021862
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)benzotriazole
CID 68021864
3-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-6-(4-methylsulfonylphenyl)triazolo[4,5-c]pyridine
CID 68021959
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
CID 68022035

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine (CID 127050519) is 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine is CCc1cnc(N2CCC(n3ncc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc43)CC2)nc1.
What is the InChIKey of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
The InChIKey is JRWQQVIJNHRANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2S/c1-3-16-12-27-24(28-13-16)30-8-6-18(7-9-30)31-23-15-26-22(10-17(23)14-29-31)20-5-4-19(11-21(20)25)34(2,32)33/h4-5,10-15,18H,3,6-9H2,1-2H3.
What are the key properties of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine has a molecular weight of 480.57 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 127050519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).