[5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone

C51H60N8O6S2 — CID 139405979

IUPAC[5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(Cc6cccc(CS(=O)(=O)N7CCC(c8ccn9ncc(C(=O)N%10CCCCC%10)c9c8)CC7)c6)CC5)c4c3)CC2)cc1
InChIInChI=1S/C51H60N8O6S2/c1-37-8-10-45(11-9-37)67(64,65)57-26-16-42(17-27-57)44-19-29-59-49(33-44)47(35-53-59)51(61)55-22-12-38(13-23-55)30-39-6-5-7-40(31-39)36-66(62,63)56-24-14-41(15-25-56)43-18-28-58-48(32-43)46(34-52-58)50(60)54-20-3-2-4-21-54/h5-11,18-19,28-29,31-35,38,41-42H,2-4,12-17,20-27,30,36H2,1H3
InChIKeyYIHMDSLUSHBQHE-UHFFFAOYSA-N
MW945.22 g/mol
LogP7.29
Rot. Bonds11

About [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone

[5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 139405979) has the molecular formula C51H60N8O6S2 and a molecular weight of 945.22 g/mol. Its IUPAC name is [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
PubChem CID139405979
Molecular FormulaC51H60N8O6S2
Molecular Weight945.22 g/mol
Exact Mass944.41
IUPAC Name[5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(Cc6cccc(CS(=O)(=O)N7CCC(c8ccn9ncc(C(=O)N%10CCCCC%10)c9c8)CC7)c6)CC5)c4c3)CC2)cc1
InChIInChI=1S/C51H60N8O6S2/c1-37-8-10-45(11-9-37)67(64,65)57-26-16-42(17-27-57)44-19-29-59-49(33-44)47(35-53-59)51(61)55-22-12-38(13-23-55)30-39-6-5-7-40(31-39)36-66(62,63)56-24-14-41(15-25-56)43-18-28-58-48(32-43)46(34-52-58)50(60)54-20-3-2-4-21-54/h5-11,18-19,28-29,31-35,38,41-42H,2-4,12-17,20-27,30,36H2,1H3
InChIKeyYIHMDSLUSHBQHE-UHFFFAOYSA-N
XLogP7.29
TPSA149.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.22
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone (CID 139405979) is [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone is Cc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(Cc6cccc(CS(=O)(=O)N7CCC(c8ccn9ncc(C(=O)N%10CCCCC%10)c9c8)CC7)c6)CC5)c4c3)CC2)cc1.
What is the InChIKey of [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is YIHMDSLUSHBQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H60N8O6S2/c1-37-8-10-45(11-9-37)67(64,65)57-26-16-42(17-27-57)44-19-29-59-49(33-44)47(35-53-59)51(61)55-22-12-38(13-23-55)30-39-6-5-7-40(31-39)36-66(62,63)56-24-14-41(15-25-56)43-18-28-58-48(32-43)46(34-52-58)50(60)54-20-3-2-4-21-54/h5-11,18-19,28-29,31-35,38,41-42H,2-4,12-17,20-27,30,36H2,1H3.
What are the key properties of [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone?
[5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 945.22 g/mol, XLogP of 7.29, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[[3-[[1-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]methyl]phenyl]methylsulfonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 139405979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).