7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide

C91H69N21O9S4 — CID 159450650

IUPAC7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)nc2ccccc12.COc1cccc2cc(C(=O)Nc3cccc(CSc4ncnc5[nH]ncc45)c3)oc12.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cc2ccccc2o1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H19N5O2S.C23H18N6O2S.C22H17N5O3S.C21H15N5O2S/c31-24(18-7-5-11-21(13-18)32-20-9-2-1-3-10-20)29-19-8-4-6-17(12-19)15-33-25-22-14-28-30-23(22)26-16-27-25;1-31-20-10-19(28-18-8-3-2-7-16(18)20)22(30)27-15-6-4-5-14(9-15)12-32-23-17-11-26-29-21(17)24-13-25-23;1-29-17-7-3-5-14-9-18(30-19(14)17)21(28)26-15-6-2-4-13(8-15)11-31-22-16-10-25-27-20(16)23-12-24-22;27-20(18-9-14-5-1-2-7-17(14)28-18)25-15-6-3-4-13(8-15)11-29-21-16-10-24-26-19(16)22-12-23-21/h1-14,16H,15H2,(H,29,31)(H,26,27,28,30);2-11,13H,12H2,1H3,(H,27,30)(H,24,25,26,29);2-10,12H,11H2,1H3,(H,26,28)(H,23,24,25,27);1-10,12H,11H2,(H,25,27)(H,22,23,24,26)
InChIKeyLTIFJXYKRKGSLQ-UHFFFAOYSA-N
MW1728.96 g/mol
LogP19.44
Rot. Bonds24

About 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 159450650) has the molecular formula C91H69N21O9S4 and a molecular weight of 1728.96 g/mol. Its IUPAC name is 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID159450650
Molecular FormulaC91H69N21O9S4
Molecular Weight1728.96 g/mol
Exact Mass1727.45
IUPAC Name7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)nc2ccccc12.COc1cccc2cc(C(=O)Nc3cccc(CSc4ncnc5[nH]ncc45)c3)oc12.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cc2ccccc2o1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H19N5O2S.C23H18N6O2S.C22H17N5O3S.C21H15N5O2S/c31-24(18-7-5-11-21(13-18)32-20-9-2-1-3-10-20)29-19-8-4-6-17(12-19)15-33-25-22-14-28-30-23(22)26-16-27-25;1-31-20-10-19(28-18-8-3-2-7-16(18)20)22(30)27-15-6-4-5-14(9-15)12-32-23-17-11-26-29-21(17)24-13-25-23;1-29-17-7-3-5-14-9-18(30-19(14)17)21(28)26-15-6-2-4-13(8-15)11-31-22-16-10-25-27-20(16)23-12-24-22;27-20(18-9-14-5-1-2-7-17(14)28-18)25-15-6-3-4-13(8-15)11-29-21-16-10-24-26-19(16)22-12-23-21/h1-14,16H,15H2,(H,29,31)(H,26,27,28,30);2-11,13H,12H2,1H3,(H,27,30)(H,24,25,26,29);2-10,12H,11H2,1H3,(H,26,28)(H,23,24,25,27);1-10,12H,11H2,(H,25,27)(H,22,23,24,26)
InChIKeyLTIFJXYKRKGSLQ-UHFFFAOYSA-N
XLogP19.44
TPSA401.10 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.96
LogP ≤ 519.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

2,3-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 20597246
N-(3-phenylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597649
3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
CID 10223398
N-(3-propan-2-ylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 10201187
5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide
CID 20597505
1-(3,5-dimethoxyphenyl)-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea;1-(3,4-dimethylphenyl)-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea;1-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 160759594
N-isoquinolin-5-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597729
N-(4-propylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597722
3-bromo-4-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;5-bromo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]furan-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 159611322
2,5-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 20597257
6-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyridine-2-carboxamide
CID 20597525
1-(4-methylsulfanylphenyl)-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea
CID 20597204

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide (CID 159450650) is 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide is COc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)nc2ccccc12.COc1cccc2cc(C(=O)Nc3cccc(CSc4ncnc5[nH]ncc45)c3)oc12.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cc2ccccc2o1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is LTIFJXYKRKGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2S.C23H18N6O2S.C22H17N5O3S.C21H15N5O2S/c31-24(18-7-5-11-21(13-18)32-20-9-2-1-3-10-20)29-19-8-4-6-17(12-19)15-33-25-22-14-28-30-23(22)26-16-27-25;1-31-20-10-19(28-18-8-3-2-7-16(18)20)22(30)27-15-6-4-5-14(9-15)12-32-23-17-11-26-29-21(17)24-13-25-23;1-29-17-7-3-5-14-9-18(30-19(14)17)21(28)26-15-6-2-4-13(8-15)11-31-22-16-10-25-27-20(16)23-12-24-22;27-20(18-9-14-5-1-2-7-17(14)28-18)25-15-6-3-4-13(8-15)11-29-21-16-10-24-26-19(16)22-12-23-21/h1-14,16H,15H2,(H,29,31)(H,26,27,28,30);2-11,13H,12H2,1H3,(H,27,30)(H,24,25,26,29);2-10,12H,11H2,1H3,(H,26,28)(H,23,24,25,27);1-10,12H,11H2,(H,25,27)(H,22,23,24,26).
What are the key properties of 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 1728.96 g/mol, XLogP of 19.44, 24 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide;4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide;3-phenoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 159450650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).