N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide

C61H43Cl2F3N16O4S3 — CID 158003028

IUPACN-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cnc2ccccc2c1)c1cccc(CSc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C22H16N6OS.C20H14F3N5O2S.C19H13Cl2N5OS/c29-21(27-17-9-15-5-1-2-7-19(15)23-10-17)16-6-3-4-14(8-16)12-30-22-18-11-26-28-20(18)24-13-25-22;21-20(22,23)30-15-6-2-5-14(8-15)27-18(29)13-4-1-3-12(7-13)10-31-19-16-9-26-28-17(16)24-11-25-19;20-13-5-14(21)7-15(6-13)25-18(27)12-3-1-2-11(4-12)9-28-19-16-8-24-26-17(16)22-10-23-19/h1-11,13H,12H2,(H,27,29)(H,24,25,26,28);1-9,11H,10H2,(H,27,29)(H,24,25,26,28);1-8,10H,9H2,(H,25,27)(H,22,23,24,26)
InChIKeyFDYPFENMZZPEBL-UHFFFAOYSA-N
MW1288.22 g/mol
LogP14.45
Rot. Bonds16

About N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide

N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 158003028) has the molecular formula C61H43Cl2F3N16O4S3 and a molecular weight of 1288.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID158003028
Molecular FormulaC61H43Cl2F3N16O4S3
Molecular Weight1288.22 g/mol
Exact Mass1286.21
IUPAC NameN-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cnc2ccccc2c1)c1cccc(CSc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C22H16N6OS.C20H14F3N5O2S.C19H13Cl2N5OS/c29-21(27-17-9-15-5-1-2-7-19(15)23-10-17)16-6-3-4-14(8-16)12-30-22-18-11-26-28-20(18)24-13-25-22;21-20(22,23)30-15-6-2-5-14(8-15)27-18(29)13-4-1-3-12(7-13)10-31-19-16-9-26-28-17(16)24-11-25-19;20-13-5-14(21)7-15(6-13)25-18(27)12-3-1-2-11(4-12)9-28-19-16-8-24-26-17(16)22-10-23-19/h1-11,13H,12H2,(H,27,29)(H,24,25,26,28);1-9,11H,10H2,(H,27,29)(H,24,25,26,28);1-8,10H,9H2,(H,25,27)(H,22,23,24,26)
InChIKeyFDYPFENMZZPEBL-UHFFFAOYSA-N
XLogP14.45
TPSA272.80 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001288.22
LogP ≤ 514.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide with MolForge

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Related Compounds

N-[6-(4-chloro-2-cyclohexylphenoxy)-3-pyridinyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 157578999
N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-benzoylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 158088571
(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 163985994
N-(4-chlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3,4-dimethoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-isoquinolin-5-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 157948161
N-[(4-chlorophenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3,4-diethoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
CID 158863886
N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159131500
N-(3-benzylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(9-ethylcarbazol-3-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 159297320
N-(3,4-dibutoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3,4-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(2-methylquinolin-6-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 160857743

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 158003028) is N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cnc2ccccc2c1)c1cccc(CSc2ncnc3[nH]ncc23)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is FDYPFENMZZPEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6OS.C20H14F3N5O2S.C19H13Cl2N5OS/c29-21(27-17-9-15-5-1-2-7-19(15)23-10-17)16-6-3-4-14(8-16)12-30-22-18-11-26-28-20(18)24-13-25-22;21-20(22,23)30-15-6-2-5-14(8-15)27-18(29)13-4-1-3-12(7-13)10-31-19-16-9-26-28-17(16)24-11-25-19;20-13-5-14(21)7-15(6-13)25-18(27)12-3-1-2-11(4-12)9-28-19-16-8-24-26-17(16)22-10-23-19/h1-11,13H,12H2,(H,27,29)(H,24,25,26,28);1-9,11H,10H2,(H,27,29)(H,24,25,26,28);1-8,10H,9H2,(H,25,27)(H,22,23,24,26).
What are the key properties of N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 1288.22 g/mol, XLogP of 14.45, 16 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-3-ylbenzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 158003028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).