1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

C61H54F4N14O6S2 — CID 155403469

IUPAC1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COC(CS(=O)(=O)Nc6cc(-c7ncc(F)cc7F)cc(-c7cnn8cc(-c9cnn(CC%10COCCN%10)c9)ccc78)c6)CN5Cc5ccccc5)c4)ccc23)c1
InChIInChI=1S/C61H54F4N14O6S2/c1-86(80,81)73-49-15-41(13-43(17-49)60-56(64)19-47(62)23-67-60)54-25-71-79-31-40(8-10-58(54)79)46-22-70-77(29-46)33-52-36-85-53(34-75(52)27-38-5-3-2-4-6-38)37-87(82,83)74-50-16-42(14-44(18-50)61-57(65)20-48(63)24-68-61)55-26-72-78-30-39(7-9-59(55)78)45-21-69-76(28-45)32-51-35-84-12-11-66-51/h2-10,13-26,28-31,51-53,66,73-74H,11-12,27,32-37H2,1H3
InChIKeyAGAYEWXCEDOLBX-UHFFFAOYSA-N
MW1219.32 g/mol
LogP8.79
Rot. Bonds18

About 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 155403469) has the molecular formula C61H54F4N14O6S2 and a molecular weight of 1219.32 g/mol. Its IUPAC name is 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
PubChem CID155403469
Molecular FormulaC61H54F4N14O6S2
Molecular Weight1219.32 g/mol
Exact Mass1218.37
IUPAC Name1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COC(CS(=O)(=O)Nc6cc(-c7ncc(F)cc7F)cc(-c7cnn8cc(-c9cnn(CC%10COCCN%10)c9)ccc78)c6)CN5Cc5ccccc5)c4)ccc23)c1
InChIInChI=1S/C61H54F4N14O6S2/c1-86(80,81)73-49-15-41(13-43(17-49)60-56(64)19-47(62)23-67-60)54-25-71-79-31-40(8-10-58(54)79)46-22-70-77(29-46)33-52-36-85-53(34-75(52)27-38-5-3-2-4-6-38)37-87(82,83)74-50-16-42(14-44(18-50)61-57(65)20-48(63)24-68-61)55-26-72-78-30-39(7-9-59(55)78)45-21-69-76(28-45)32-51-35-84-12-11-66-51/h2-10,13-26,28-31,51-53,66,73-74H,11-12,27,32-37H2,1H3
InChIKeyAGAYEWXCEDOLBX-UHFFFAOYSA-N
XLogP8.79
TPSA222.09 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001219.32
LogP ≤ 58.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (CID 155403469) is 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(CC5COC(CS(=O)(=O)Nc6cc(-c7ncc(F)cc7F)cc(-c7cnn8cc(-c9cnn(CC%10COCCN%10)c9)ccc78)c6)CN5Cc5ccccc5)c4)ccc23)c1.
What is the InChIKey of 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The InChIKey is AGAYEWXCEDOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H54F4N14O6S2/c1-86(80,81)73-49-15-41(13-43(17-49)60-56(64)19-47(62)23-67-60)54-25-71-79-31-40(8-10-58(54)79)46-22-70-77(29-46)33-52-36-85-53(34-75(52)27-38-5-3-2-4-6-38)37-87(82,83)74-50-16-42(14-44(18-50)61-57(65)20-48(63)24-68-61)55-26-72-78-30-39(7-9-59(55)78)45-21-69-76(28-45)32-51-35-84-12-11-66-51/h2-10,13-26,28-31,51-53,66,73-74H,11-12,27,32-37H2,1H3.
What are the key properties of 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 1219.32 g/mol, XLogP of 8.79, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzyl-5-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholin-2-yl]-N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(morpholin-3-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155403469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).