N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine

C22H24FN5O2S — CID 110265009

IUPACN-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
SMILESCc1cc(Nc2cnccn2)cc(C2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)n1
InChIInChI=1S/C22H24FN5O2S/c1-15-10-19(5-6-20(15)23)31(29,30)28-9-3-4-17(14-28)21-12-18(11-16(2)26-21)27-22-13-24-7-8-25-22/h5-8,10-13,17H,3-4,9,14H2,1-2H3,(H,25,26,27)
InChIKeyJSIRJSLMPYOGNZ-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.94
Rot. Bonds5

About N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine

N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine (PubChem CID 110265009) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
PubChem CID110265009
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC NameN-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
SMILESCc1cc(Nc2cnccn2)cc(C2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)n1
InChIInChI=1S/C22H24FN5O2S/c1-15-10-19(5-6-20(15)23)31(29,30)28-9-3-4-17(14-28)21-12-18(11-16(2)26-21)27-22-13-24-7-8-25-22/h5-8,10-13,17H,3-4,9,14H2,1-2H3,(H,25,26,27)
InChIKeyJSIRJSLMPYOGNZ-UHFFFAOYSA-N
XLogP3.94
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 124964128
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576
2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine
CID 95834966
N,N-diethyl-4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093129
2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 110259171
N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
CID 124970651
N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
CID 110088790
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264924
N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
CID 124940380
(5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 110265018
1-[2-[2-[(3R)-3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834932

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine (CID 110265009) is N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine is Cc1cc(Nc2cnccn2)cc(C2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)n1.
What is the InChIKey of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine?
The InChIKey is JSIRJSLMPYOGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-15-10-19(5-6-20(15)23)31(29,30)28-9-3-4-17(14-28)21-12-18(11-16(2)26-21)27-22-13-24-7-8-25-22/h5-8,10-13,17H,3-4,9,14H2,1-2H3,(H,25,26,27).
What are the key properties of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine?
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine has a molecular weight of 441.53 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 110265009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).