N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine

C21H17FN4S — CID 144988150

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
SMILESCc1cc(Sc2ccccc2)cc(Nc2cc(-c3ccc(F)cc3)[nH]n2)n1
InChIInChI=1S/C21H17FN4S/c1-14-11-18(27-17-5-3-2-4-6-17)12-20(23-14)24-21-13-19(25-26-21)15-7-9-16(22)10-8-15/h2-13H,1H3,(H2,23,24,25,26)
InChIKeyCGWPTKWKFUHKIK-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.81
Rot. Bonds5

About N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine (PubChem CID 144988150) has the molecular formula C21H17FN4S and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
PubChem CID144988150
Molecular FormulaC21H17FN4S
Molecular Weight376.46 g/mol
Exact Mass376.12
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
SMILESCc1cc(Sc2ccccc2)cc(Nc2cc(-c3ccc(F)cc3)[nH]n2)n1
InChIInChI=1S/C21H17FN4S/c1-14-11-18(27-17-5-3-2-4-6-17)12-20(23-14)24-21-13-19(25-26-21)15-7-9-16(22)10-8-15/h2-13H,1H3,(H2,23,24,25,26)
InChIKeyCGWPTKWKFUHKIK-UHFFFAOYSA-N
XLogP5.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-4-ylsulfanylpyridin-2-amine
CID 144988036
6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 10131417
2-N,6-N-bis(5-phenyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 139220875
6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 70949618
4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol
CID 144988185
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
CID 123636824
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 20604303
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine
CID 144988155
6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine
CID 144988121
N-(4-fluorophenyl)-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 139405800
2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine
CID 144988291

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine (CID 144988150) is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine is Cc1cc(Sc2ccccc2)cc(Nc2cc(-c3ccc(F)cc3)[nH]n2)n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine?
The InChIKey is CGWPTKWKFUHKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4S/c1-14-11-18(27-17-5-3-2-4-6-17)12-20(23-14)24-21-13-19(25-26-21)15-7-9-16(22)10-8-15/h2-13H,1H3,(H2,23,24,25,26).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine?
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine has a molecular weight of 376.46 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine is sourced from PubChem (CID 144988150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).