5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C74H85N13O10S3 — CID 139405964

IUPAC5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CCc1cccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(c6ccc(CS(=O)(=O)N7CCC(c8ccn9ncc(C(=O)N%10CCCCC%10)c9c8)CC7)cc6)CC5)c4c3)CC2)c1)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)cc12
InChIInChI=1S/C74H85N13O10S3/c1-3-79(72(89)66-48-75-85-41-28-61(45-69(66)85)58-23-37-83(38-24-58)99(94,95)64-16-14-63(15-17-64)78-52(2)88)32-18-53-8-7-9-65(44-53)100(96,97)84-39-25-59(26-40-84)62-29-43-87-71(47-62)68(50-77-87)74(91)81-33-19-56(20-34-81)55-12-10-54(11-13-55)51-98(92,93)82-35-21-57(22-36-82)60-27-42-86-70(46-60)67(49-76-86)73(90)80-30-5-4-6-31-80/h7-17,27-29,41-50,56-59H,3-6,18-26,30-40,51H2,1-2H3,(H,78,88)
InChIKeyHRJCCEZZZOEMRX-UHFFFAOYSA-N
MW1412.78 g/mol
LogP9.78
Rot. Bonds19

About 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 139405964) has the molecular formula C74H85N13O10S3 and a molecular weight of 1412.78 g/mol. Its IUPAC name is 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID139405964
Molecular FormulaC74H85N13O10S3
Molecular Weight1412.78 g/mol
Exact Mass1411.57
IUPAC Name5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CCc1cccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(c6ccc(CS(=O)(=O)N7CCC(c8ccn9ncc(C(=O)N%10CCCCC%10)c9c8)CC7)cc6)CC5)c4c3)CC2)c1)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)cc12
InChIInChI=1S/C74H85N13O10S3/c1-3-79(72(89)66-48-75-85-41-28-61(45-69(66)85)58-23-37-83(38-24-58)99(94,95)64-16-14-63(15-17-64)78-52(2)88)32-18-53-8-7-9-65(44-53)100(96,97)84-39-25-59(26-40-84)62-29-43-87-71(47-62)68(50-77-87)74(91)81-33-19-56(20-34-81)55-12-10-54(11-13-55)51-98(92,93)82-35-21-57(22-36-82)60-27-42-86-70(46-60)67(49-76-86)73(90)80-30-5-4-6-31-80/h7-17,27-29,41-50,56-59H,3-6,18-26,30-40,51H2,1-2H3,(H,78,88)
InChIKeyHRJCCEZZZOEMRX-UHFFFAOYSA-N
XLogP9.78
TPSA254.07 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001412.78
LogP ≤ 59.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 139405964) is 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCN(CCc1cccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(c6ccc(CS(=O)(=O)N7CCC(c8ccn9ncc(C(=O)N%10CCCCC%10)c9c8)CC7)cc6)CC5)c4c3)CC2)c1)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)cc12.
What is the InChIKey of 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HRJCCEZZZOEMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H85N13O10S3/c1-3-79(72(89)66-48-75-85-41-28-61(45-69(66)85)58-23-37-83(38-24-58)99(94,95)64-16-14-63(15-17-64)78-52(2)88)32-18-53-8-7-9-65(44-53)100(96,97)84-39-25-59(26-40-84)62-29-43-87-71(47-62)68(50-77-87)74(91)81-33-19-56(20-34-81)55-12-10-54(11-13-55)51-98(92,93)82-35-21-57(22-36-82)60-27-42-86-70(46-60)67(49-76-86)73(90)80-30-5-4-6-31-80/h7-17,27-29,41-50,56-59H,3-6,18-26,30-40,51H2,1-2H3,(H,78,88).
What are the key properties of 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1412.78 g/mol, XLogP of 9.78, 19 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-ethyl-N-[2-[3-[4-[3-[4-[4-[[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylmethyl]phenyl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 139405964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).