4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide

C85H64ClN25O7S4 — CID 158204489

IUPAC4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide
SMILESCC1=NN(c2ccc(C(=O)Nc3cccc(CSc4ncnc5[nH]ncc45)c3)cc2)C(=O)C1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc(Cl)cc1O.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc2ccccc2n1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C23H19N7O2S.C22H16N6OS.C21H15N7O2S.C19H14ClN5O2S/c1-14-9-20(31)30(29-14)18-7-5-16(6-8-18)22(32)27-17-4-2-3-15(10-17)12-33-23-19-11-26-28-21(19)24-13-25-23;29-21(19-9-8-15-5-1-2-7-18(15)27-19)26-16-6-3-4-14(10-16)12-30-22-17-11-25-28-20(17)23-13-24-22;29-19(17-20(30)27-16-7-2-1-6-15(16)26-17)25-13-5-3-4-12(8-13)10-31-21-14-9-24-28-18(14)22-11-23-21;20-12-4-5-14(16(26)7-12)18(27)24-13-3-1-2-11(6-13)9-28-19-15-8-23-25-17(15)21-10-22-19/h2-8,10-11,13H,9,12H2,1H3,(H,27,32)(H,24,25,26,28);1-11,13H,12H2,(H,26,29)(H,23,24,25,28);1-9,11H,10H2,(H,25,29)(H,27,30)(H,22,23,24,28);1-8,10,26H,9H2,(H,24,27)(H,21,22,23,25)
InChIKeyGBIFQMXOKNRULK-UHFFFAOYSA-N
MW1711.34 g/mol
LogP15.85
Rot. Bonds21

About 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide

4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide (PubChem CID 158204489) has the molecular formula C85H64ClN25O7S4 and a molecular weight of 1711.34 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide
PubChem CID158204489
Molecular FormulaC85H64ClN25O7S4
Molecular Weight1711.34 g/mol
Exact Mass1709.40
IUPAC Name4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide
SMILESCC1=NN(c2ccc(C(=O)Nc3cccc(CSc4ncnc5[nH]ncc45)c3)cc2)C(=O)C1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc(Cl)cc1O.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc2ccccc2n1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C23H19N7O2S.C22H16N6OS.C21H15N7O2S.C19H14ClN5O2S/c1-14-9-20(31)30(29-14)18-7-5-16(6-8-18)22(32)27-17-4-2-3-15(10-17)12-33-23-19-11-26-28-21(19)24-13-25-23;29-21(19-9-8-15-5-1-2-7-18(15)27-19)26-16-6-3-4-14(10-16)12-30-22-17-11-25-28-20(17)23-13-24-22;29-19(17-20(30)27-16-7-2-1-6-15(16)26-17)25-13-5-3-4-12(8-13)10-31-21-14-9-24-28-18(14)22-11-23-21;20-12-4-5-14(16(26)7-12)18(27)24-13-3-1-2-11(6-13)9-28-19-15-8-23-25-17(15)21-10-22-19/h2-8,10-11,13H,9,12H2,1H3,(H,27,32)(H,24,25,26,28);1-11,13H,12H2,(H,26,29)(H,23,24,25,28);1-9,11H,10H2,(H,25,29)(H,27,30)(H,22,23,24,28);1-8,10,26H,9H2,(H,24,27)(H,21,22,23,25)
InChIKeyGBIFQMXOKNRULK-UHFFFAOYSA-N
XLogP15.85
TPSA445.78 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001711.34
LogP ≤ 515.85
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide (CID 158204489) is 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide is CC1=NN(c2ccc(C(=O)Nc3cccc(CSc4ncnc5[nH]ncc45)c3)cc2)C(=O)C1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc(Cl)cc1O.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc2ccccc2n1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide?
The InChIKey is GBIFQMXOKNRULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2S.C22H16N6OS.C21H15N7O2S.C19H14ClN5O2S/c1-14-9-20(31)30(29-14)18-7-5-16(6-8-18)22(32)27-17-4-2-3-15(10-17)12-33-23-19-11-26-28-21(19)24-13-25-23;29-21(19-9-8-15-5-1-2-7-18(15)27-19)26-16-6-3-4-14(10-16)12-30-22-17-11-25-28-20(17)23-13-24-22;29-19(17-20(30)27-16-7-2-1-6-15(16)26-17)25-13-5-3-4-12(8-13)10-31-21-14-9-24-28-18(14)22-11-23-21;20-12-4-5-14(16(26)7-12)18(27)24-13-3-1-2-11(6-13)9-28-19-15-8-23-25-17(15)21-10-22-19/h2-8,10-11,13H,9,12H2,1H3,(H,27,32)(H,24,25,26,28);1-11,13H,12H2,(H,26,29)(H,23,24,25,28);1-9,11H,10H2,(H,25,29)(H,27,30)(H,22,23,24,28);1-8,10,26H,9H2,(H,24,27)(H,21,22,23,25).
What are the key properties of 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide?
4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide has a molecular weight of 1711.34 g/mol, XLogP of 15.85, 21 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-oxo-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 158204489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).