5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide

C102H78ClFN30O5S6 — CID 159656865

About 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide

5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide (PubChem CID 159656865) has the molecular formula C102H78ClFN30O5S6 and a molecular weight of 2050.80 g/mol. Its IUPAC name is 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide
• PubChem CID: 159656865
• Molecular Formula: C102H78ClFN30O5S6
• Molecular Weight: 2050.80 g/mol
• Exact Mass: 2048.48
• IUPAC Name: 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide
• SMILES: Cc1nc(C)c(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)s1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cc2cc(Cl)ccc2[nH]1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cc2cc(F)ccc2[nH]1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc2[nH]ccc2c1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc2cc[nH]c2c1
• InChI: InChI=1S/C21H15ClN6OS.C21H15FN6OS.2C21H16N6OS.C18H16N6OS2/c2*22-14-4-5-17-13(7-14)8-18(27-17)20(29)26-15-3-1-2-12(6-15)10-30-21-16-9-25-28-19(16)23-11-24-21;28-20(15-4-5-18-14(9-15)6-7-22-18)26-16-3-1-2-13(8-16)11-29-21-17-10-25-27-19(17)23-12-24-21;28-20(15-5-4-14-6-7-22-18(14)9-15)26-16-3-1-2-13(8-16)11-29-21-17-10-25-27-19(17)23-12-24-21;1-10-15(27-11(2)22-10)17(25)23-13-5-3-4-12(6-13)8-26-18-14-7-21-24-16(14)19-9-20-18/h2*1-9,11,27H,10H2,(H,26,29)(H,23,24,25,28);2*1-10,12,22H,11H2,(H,26,28)(H,23,24,25,27);3-7,9H,8H2,1-2H3,(H,23,25)(H,19,20,21,24)
• InChIKey: MSHBVONPAMIIDV-UHFFFAOYSA-N
• XLogP: 22.28
• TPSA: 493.85 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2050.80
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide?

The IUPAC name of 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide (CID 159656865) is 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide.

What is the SMILES notation for 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide?

The canonical SMILES for 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)s1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cc2cc(Cl)ccc2[nH]1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1cc2cc(F)ccc2[nH]1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc2[nH]ccc2c1.O=C(Nc1cccc(CSc2ncnc3[nH]ncc23)c1)c1ccc2cc[nH]c2c1.

What is the InChIKey of 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide?

The InChIKey is MSHBVONPAMIIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6OS.C21H15FN6OS.2C21H16N6OS.C18H16N6OS2/c2*22-14-4-5-17-13(7-14)8-18(27-17)20(29)26-15-3-1-2-12(6-15)10-30-21-16-9-25-28-19(16)23-11-24-21;28-20(15-4-5-18-14(9-15)6-7-22-18)26-16-3-1-2-13(8-16)11-29-21-17-10-25-27-19(17)23-12-24-21;28-20(15-5-4-14-6-7-22-18(14)9-15)26-16-3-1-2-13(8-16)11-29-21-17-10-25-27-19(17)23-12-24-21;1-10-15(27-11(2)22-10)17(25)23-13-5-3-4-12(6-13)8-26-18-14-7-21-24-16(14)19-9-20-18/h2*1-9,11,27H,10H2,(H,26,29)(H,23,24,25,28);2*1-10,12,22H,11H2,(H,26,28)(H,23,24,25,27);3-7,9H,8H2,1-2H3,(H,23,25)(H,19,20,21,24).

What are the key properties of 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide?

5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide has a molecular weight of 2050.80 g/mol, XLogP of 22.28, 25 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 159656865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).