5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide

C84H65N23O7S5 — CID 158567998

IUPAC5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3cccc(CSc4ncnc5[nH]ncc45)c3)cc2c1.Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cccs1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ncoc1-c1ccccc1
InChIInChI=1S/C23H18N6O2S.C22H18N6O2S.C22H16N6O2S.C17H13N5OS2/c1-14-19(20(29-31-14)16-7-3-2-4-8-16)22(30)27-17-9-5-6-15(10-17)12-32-23-18-11-26-28-21(18)24-13-25-23;1-30-16-5-6-18-14(8-16)9-19(27-18)21(29)26-15-4-2-3-13(7-15)11-31-22-17-10-25-28-20(17)23-12-24-22;29-21(18-19(30-13-25-18)15-6-2-1-3-7-15)27-16-8-4-5-14(9-16)11-31-22-17-10-26-28-20(17)23-12-24-22;23-16(14-5-2-6-24-14)21-12-4-1-3-11(7-12)9-25-17-13-8-20-22-15(13)18-10-19-17/h2-11,13H,12H2,1H3,(H,27,30)(H,24,25,26,28);2-10,12,27H,11H2,1H3,(H,26,29)(H,23,24,25,28);1-10,12-13H,11H2,(H,27,29)(H,23,24,26,28);1-8,10H,9H2,(H,21,23)(H,18,19,20,22)
InChIKeyHRSKFFGRLLXRPC-UHFFFAOYSA-N
MW1668.93 g/mol
LogP17.76
Rot. Bonds23

About 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide

5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 158567998) has the molecular formula C84H65N23O7S5 and a molecular weight of 1668.93 g/mol. Its IUPAC name is 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID158567998
Molecular FormulaC84H65N23O7S5
Molecular Weight1668.93 g/mol
Exact Mass1667.40
IUPAC Name5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3cccc(CSc4ncnc5[nH]ncc45)c3)cc2c1.Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cccs1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ncoc1-c1ccccc1
InChIInChI=1S/C23H18N6O2S.C22H18N6O2S.C22H16N6O2S.C17H13N5OS2/c1-14-19(20(29-31-14)16-7-3-2-4-8-16)22(30)27-17-9-5-6-15(10-17)12-32-23-18-11-26-28-21(18)24-13-25-23;1-30-16-5-6-18-14(8-16)9-19(27-18)21(29)26-15-4-2-3-13(7-15)11-31-22-17-10-25-28-20(17)23-12-24-22;29-21(18-19(30-13-25-18)15-6-2-1-3-7-15)27-16-8-4-5-14(9-16)11-31-22-17-10-26-28-20(17)23-12-24-22;23-16(14-5-2-6-24-14)21-12-4-1-3-11(7-12)9-25-17-13-8-20-22-15(13)18-10-19-17/h2-11,13H,12H2,1H3,(H,27,30)(H,24,25,26,28);2-10,12,27H,11H2,1H3,(H,26,29)(H,23,24,25,28);1-10,12-13H,11H2,(H,27,29)(H,23,24,26,28);1-8,10H,9H2,(H,21,23)(H,18,19,20,22)
InChIKeyHRSKFFGRLLXRPC-UHFFFAOYSA-N
XLogP17.76
TPSA411.32 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001668.93
LogP ≤ 517.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide
CID 20597505
N-(3-phenylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597649
6-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyridine-2-carboxamide
CID 20597525
2,3-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 20597246
2,5-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 20597257
N-(3-propan-2-ylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 10201187
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
1-(4-methylsulfanylphenyl)-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea
CID 20597204
(2R)-2-hydroxy-3-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide
CID 59101461
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
4-(dimethylamino)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide
CID 20597468
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide (CID 158567998) is 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide is COc1ccc2[nH]c(C(=O)Nc3cccc(CSc4ncnc5[nH]ncc45)c3)cc2c1.Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cccs1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ncoc1-c1ccccc1.
What is the InChIKey of 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HRSKFFGRLLXRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S.C22H18N6O2S.C22H16N6O2S.C17H13N5OS2/c1-14-19(20(29-31-14)16-7-3-2-4-8-16)22(30)27-17-9-5-6-15(10-17)12-32-23-18-11-26-28-21(18)24-13-25-23;1-30-16-5-6-18-14(8-16)9-19(27-18)21(29)26-15-4-2-3-13(7-15)11-31-22-17-10-25-28-20(17)23-12-24-22;29-21(18-19(30-13-25-18)15-6-2-1-3-7-15)27-16-8-4-5-14(9-16)11-31-22-17-10-26-28-20(17)23-12-24-22;23-16(14-5-2-6-24-14)21-12-4-1-3-11(7-12)9-25-17-13-8-20-22-15(13)18-10-19-17/h2-11,13H,12H2,1H3,(H,27,30)(H,24,25,26,28);2-10,12,27H,11H2,1H3,(H,26,29)(H,23,24,25,28);1-10,12-13H,11H2,(H,27,29)(H,23,24,26,28);1-8,10H,9H2,(H,21,23)(H,18,19,20,22).
What are the key properties of 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide?
5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 1668.93 g/mol, XLogP of 17.76, 23 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;5-methyl-3-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide;5-phenyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 158567998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).