6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole

C66H69N17O4S7 — CID 159226021

IUPAC6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
SMILESCC1CC1S(=O)c1cc2c(cn1)nc(-c1nccs1)n2-c1ccccc1.CCCCS(=O)c1nc2c(nc1C)c(-c1ccccn1)nn2C(C)C.CCCCS(=O)c1ncc2sc(-c3ccccc3)nc2n1.Cc1cn(-c2nc3nc(S(=O)C4CC4C)c(N)cc3s2)cn1
InChIInChI=1S/C19H16N4OS2.C18H23N5OS.C15H15N3OS2.C14H15N5OS2/c1-12-9-16(12)26(24)17-10-15-14(11-21-17)22-18(19-20-7-8-25-19)23(15)13-5-3-2-4-6-13;1-5-6-11-25(24)18-13(4)20-16-15(14-9-7-8-10-19-14)22-23(12(2)3)17(16)21-18;1-2-3-9-21(19)15-16-10-12-13(18-15)17-14(20-12)11-7-5-4-6-8-11;1-7-3-11(7)22(20)13-9(15)4-10-12(17-13)18-14(21-10)19-5-8(2)16-6-19/h2-8,10-12,16H,9H2,1H3;7-10,12H,5-6,11H2,1-4H3;4-8,10H,2-3,9H2,1H3;4-7,11H,3,15H2,1-2H3
InChIKeyKSHIWHWLPXGOKD-UHFFFAOYSA-N
MW1388.86 g/mol
LogP13.69
Rot. Bonds18

About 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole

6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole (PubChem CID 159226021) has the molecular formula C66H69N17O4S7 and a molecular weight of 1388.86 g/mol. Its IUPAC name is 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
PubChem CID159226021
Molecular FormulaC66H69N17O4S7
Molecular Weight1388.86 g/mol
Exact Mass1387.38
IUPAC Name6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
SMILESCC1CC1S(=O)c1cc2c(cn1)nc(-c1nccs1)n2-c1ccccc1.CCCCS(=O)c1nc2c(nc1C)c(-c1ccccn1)nn2C(C)C.CCCCS(=O)c1ncc2sc(-c3ccccc3)nc2n1.Cc1cn(-c2nc3nc(S(=O)C4CC4C)c(N)cc3s2)cn1
InChIInChI=1S/C19H16N4OS2.C18H23N5OS.C15H15N3OS2.C14H15N5OS2/c1-12-9-16(12)26(24)17-10-15-14(11-21-17)22-18(19-20-7-8-25-19)23(15)13-5-3-2-4-6-13;1-5-6-11-25(24)18-13(4)20-16-15(14-9-7-8-10-19-14)22-23(12(2)3)17(16)21-18;1-2-3-9-21(19)15-16-10-12-13(18-15)17-14(20-12)11-7-5-4-6-8-11;1-7-3-11(7)22(20)13-9(15)4-10-12(17-13)18-14(21-10)19-5-8(2)16-6-19/h2-8,10-12,16H,9H2,1H3;7-10,12H,5-6,11H2,1-4H3;4-8,10H,2-3,9H2,1H3;4-7,11H,3,15H2,1-2H3
InChIKeyKSHIWHWLPXGOKD-UHFFFAOYSA-N
XLogP13.69
TPSA276.66 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms94
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001388.86
LogP ≤ 513.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
The IUPAC name of 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole (CID 159226021) is 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole.
What is the SMILES notation for 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
The canonical SMILES for 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole is CC1CC1S(=O)c1cc2c(cn1)nc(-c1nccs1)n2-c1ccccc1.CCCCS(=O)c1nc2c(nc1C)c(-c1ccccn1)nn2C(C)C.CCCCS(=O)c1ncc2sc(-c3ccccc3)nc2n1.Cc1cn(-c2nc3nc(S(=O)C4CC4C)c(N)cc3s2)cn1.
What is the InChIKey of 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
The InChIKey is KSHIWHWLPXGOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2.C18H23N5OS.C15H15N3OS2.C14H15N5OS2/c1-12-9-16(12)26(24)17-10-15-14(11-21-17)22-18(19-20-7-8-25-19)23(15)13-5-3-2-4-6-13;1-5-6-11-25(24)18-13(4)20-16-15(14-9-7-8-10-19-14)22-23(12(2)3)17(16)21-18;1-2-3-9-21(19)15-16-10-12-13(18-15)17-14(20-12)11-7-5-4-6-8-11;1-7-3-11(7)22(20)13-9(15)4-10-12(17-13)18-14(21-10)19-5-8(2)16-6-19/h2-8,10-12,16H,9H2,1H3;7-10,12H,5-6,11H2,1-4H3;4-8,10H,2-3,9H2,1H3;4-7,11H,3,15H2,1-2H3.
What are the key properties of 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole has a molecular weight of 1388.86 g/mol, XLogP of 13.69, 18 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfinyl-5-methyl-1-propan-2-yl-3-pyridin-2-ylpyrazolo[3,4-b]pyrazine;5-butylsulfinyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine;5-(2-methylcyclopropyl)sulfinyl-2-(4-methylimidazol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-[6-(2-methylcyclopropyl)sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole is sourced from PubChem (CID 159226021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).