6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

C28H34N6O2S — CID 156769080

IUPAC6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
SMILESCc1cc(-c2cc3n[nH]c(C4CCC(N5CC6(C5)CS(=O)(=O)C6)CC4)c3cc2C(C)C)cn2ncnc12
InChIInChI=1S/C28H34N6O2S/c1-17(2)22-9-24-25(10-23(22)20-8-18(3)27-29-16-30-34(27)11-20)31-32-26(24)19-4-6-21(7-5-19)33-12-28(13-33)14-37(35,36)15-28/h8-11,16-17,19,21H,4-7,12-15H2,1-3H3,(H,31,32)
InChIKeyFGEINZSBCCUEKK-UHFFFAOYSA-N
MW518.69 g/mol
LogP4.46
Rot. Bonds4

About 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (PubChem CID 156769080) has the molecular formula C28H34N6O2S and a molecular weight of 518.69 g/mol. Its IUPAC name is 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

Compound Name6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
PubChem CID156769080
Molecular FormulaC28H34N6O2S
Molecular Weight518.69 g/mol
Exact Mass518.25
IUPAC Name6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
SMILESCc1cc(-c2cc3n[nH]c(C4CCC(N5CC6(C5)CS(=O)(=O)C6)CC4)c3cc2C(C)C)cn2ncnc12
InChIInChI=1S/C28H34N6O2S/c1-17(2)22-9-24-25(10-23(22)20-8-18(3)27-29-16-30-34(27)11-20)31-32-26(24)19-4-6-21(7-5-19)33-12-28(13-33)14-37(35,36)15-28/h8-11,16-17,19,21H,4-7,12-15H2,1-3H3,(H,31,32)
InChIKeyFGEINZSBCCUEKK-UHFFFAOYSA-N
XLogP4.46
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.69
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
The IUPAC name of 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (CID 156769080) is 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.
What is the SMILES notation for 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
The canonical SMILES for 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is Cc1cc(-c2cc3n[nH]c(C4CCC(N5CC6(C5)CS(=O)(=O)C6)CC4)c3cc2C(C)C)cn2ncnc12.
What is the InChIKey of 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
The InChIKey is FGEINZSBCCUEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2S/c1-17(2)22-9-24-25(10-23(22)20-8-18(3)27-29-16-30-34(27)11-20)31-32-26(24)19-4-6-21(7-5-19)33-12-28(13-33)14-37(35,36)15-28/h8-11,16-17,19,21H,4-7,12-15H2,1-3H3,(H,31,32).
What are the key properties of 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 518.69 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-2H-indazol-3-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 156769080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).