N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

C58H62N18O5S2 — CID 143067644

IUPACN-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C2CCC(C3CC3c3cnn4c(NS(=O)(=O)c5cccnc5)cc(C5CCNCC5)nc34)NC2)nc2c(C3CC3C3CCC(c4cc(NS(=O)(=O)c5cccnc5)n5ncc(C6CC6)c5n4)CN3)cnn12)c1cccnc1
InChIInChI=1S/C58H62N18O5S2/c77-58(37-4-1-15-60-25-37)71-52-22-50(35-9-11-47(63-26-35)43-21-41(43)46-32-67-76-53(72-82(78,79)38-5-2-16-61-28-38)23-49(68-57(46)76)34-13-18-59-19-14-34)70-56-45(31-66-74(52)56)40-20-42(40)48-12-10-36(27-64-48)51-24-54(73-83(80,81)39-6-3-17-62-29-39)75-55(69-51)44(30-65-75)33-7-8-33/h1-6,15-17,22-25,28-36,40-43,47-48,59,63-64,72-73H,7-14,18-21,26-27H2,(H,71,77)
InChIKeyGMYVPQVVSDLRJG-UHFFFAOYSA-N
MW1155.39 g/mol
LogP6.48
Rot. Bonds16

About N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (PubChem CID 143067644) has the molecular formula C58H62N18O5S2 and a molecular weight of 1155.39 g/mol. Its IUPAC name is N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
PubChem CID143067644
Molecular FormulaC58H62N18O5S2
Molecular Weight1155.39 g/mol
Exact Mass1154.46
IUPAC NameN-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C2CCC(C3CC3c3cnn4c(NS(=O)(=O)c5cccnc5)cc(C5CCNCC5)nc34)NC2)nc2c(C3CC3C3CCC(c4cc(NS(=O)(=O)c5cccnc5)n5ncc(C6CC6)c5n4)CN3)cnn12)c1cccnc1
InChIInChI=1S/C58H62N18O5S2/c77-58(37-4-1-15-60-25-37)71-52-22-50(35-9-11-47(63-26-35)43-21-41(43)46-32-67-76-53(72-82(78,79)38-5-2-16-61-28-38)23-49(68-57(46)76)34-13-18-59-19-14-34)70-56-45(31-66-74(52)56)40-20-42(40)48-12-10-36(27-64-48)51-24-54(73-83(80,81)39-6-3-17-62-29-39)75-55(69-51)44(30-65-75)33-7-8-33/h1-6,15-17,22-25,28-36,40-43,47-48,59,63-64,72-73H,7-14,18-21,26-27H2,(H,71,77)
InChIKeyGMYVPQVVSDLRJG-UHFFFAOYSA-N
XLogP6.48
TPSA286.77 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001155.39
LogP ≤ 56.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90271946
N-[1-(5-formyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556296
N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328248
N-[3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357945
N-[1-(4-methylphenyl)-3-[1-(1-methylpyrazol-4-yl)sulfinylpiperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357983
6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
CID 59186253
(2-amino-4-methylpyrimidin-5-yl)-[(1R,5S)-3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 67294543
[(1R,5S)-3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(2-amino-3-pyridinyl)methanone
CID 67295227
[3-[7-Amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(2-amino-3-pyridinyl)methanone
CID 68273581
N-[1-(4-methylphenyl)-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328083
N-[1-(4-methylphenyl)-3-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328639
N-[1-(5-butan-2-yl-2-pyridinyl)-3-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357892

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (CID 143067644) is N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is O=C(Nc1cc(C2CCC(C3CC3c3cnn4c(NS(=O)(=O)c5cccnc5)cc(C5CCNCC5)nc34)NC2)nc2c(C3CC3C3CCC(c4cc(NS(=O)(=O)c5cccnc5)n5ncc(C6CC6)c5n4)CN3)cnn12)c1cccnc1.
What is the InChIKey of N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The InChIKey is GMYVPQVVSDLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H62N18O5S2/c77-58(37-4-1-15-60-25-37)71-52-22-50(35-9-11-47(63-26-35)43-21-41(43)46-32-67-76-53(72-82(78,79)38-5-2-16-61-28-38)23-49(68-57(46)76)34-13-18-59-19-14-34)70-56-45(31-66-74(52)56)40-20-42(40)48-12-10-36(27-64-48)51-24-54(73-83(80,81)39-6-3-17-62-29-39)75-55(69-51)44(30-65-75)33-7-8-33/h1-6,15-17,22-25,28-36,40-43,47-48,59,63-64,72-73H,7-14,18-21,26-27H2,(H,71,77).
What are the key properties of N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide has a molecular weight of 1155.39 g/mol, XLogP of 6.48, 16 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[5-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]cyclopropyl]-5-[6-[2-[5-piperidin-4-yl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143067644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).