N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C110H112F8N36O16S4 — CID 158922937

IUPACN-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H]1CCn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1.CN1CCC[C@H]1CCn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1.C[C@@H](Cn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1)N(C)C.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3cnn(C4CN5CCC4CC5)c3)ccc2OC(F)F)n1
InChIInChI=1S/C28H27F2N9O4S.2C28H29F2N9O4S.C26H27F2N9O4S/c1-36-15-22(34-27(40)21-13-33-38-8-2-7-31-26(21)38)25(35-36)20-11-18(3-4-24(20)43-28(29)30)44(41,42)19-12-32-39(14-19)23-16-37-9-5-17(23)6-10-37;2*1-36-10-3-5-18(36)8-12-38-16-20(14-32-38)44(41,42)19-6-7-24(43-28(29)30)21(13-19)25-23(17-37(2)35-25)34-27(40)22-15-33-39-11-4-9-31-26(22)39;1-16(34(2)3)13-36-14-18(11-30-36)42(39,40)17-6-7-22(41-26(27)28)19(10-17)23-21(15-35(4)33-23)32-25(38)20-12-31-37-9-5-8-29-24(20)37/h2-4,7-8,11-15,17,23,28H,5-6,9-10,16H2,1H3,(H,34,40);2*4,6-7,9,11,13-18,28H,3,5,8,10,12H2,1-2H3,(H,34,40);5-12,14-16,26H,13H2,1-4H3,(H,32,38)/t;2*18-;16-/m.100/s1
InChIKeyJIBKDVAEFMRGJC-HSFWOSFPSA-N
MW2474.59 g/mol
LogP13.24
Rot. Bonds38

About N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158922937) has the molecular formula C110H112F8N36O16S4 and a molecular weight of 2474.59 g/mol. Its IUPAC name is N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158922937
Molecular FormulaC110H112F8N36O16S4
Molecular Weight2474.59 g/mol
Exact Mass2472.78
IUPAC NameN-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H]1CCn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1.CN1CCC[C@H]1CCn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1.C[C@@H](Cn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1)N(C)C.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3cnn(C4CN5CCC4CC5)c3)ccc2OC(F)F)n1
InChIInChI=1S/C28H27F2N9O4S.2C28H29F2N9O4S.C26H27F2N9O4S/c1-36-15-22(34-27(40)21-13-33-38-8-2-7-31-26(21)38)25(35-36)20-11-18(3-4-24(20)43-28(29)30)44(41,42)19-12-32-39(14-19)23-16-37-9-5-17(23)6-10-37;2*1-36-10-3-5-18(36)8-12-38-16-20(14-32-38)44(41,42)19-6-7-24(43-28(29)30)21(13-19)25-23(17-37(2)35-25)34-27(40)22-15-33-39-11-4-9-31-26(22)39;1-16(34(2)3)13-36-14-18(11-30-36)42(39,40)17-6-7-22(41-26(27)28)19(10-17)23-21(15-35(4)33-23)32-25(38)20-12-31-37-9-5-8-29-24(20)37/h2-4,7-8,11-15,17,23,28H,5-6,9-10,16H2,1H3,(H,34,40);2*4,6-7,9,11,13-18,28H,3,5,8,10,12H2,1-2H3,(H,34,40);5-12,14-16,26H,13H2,1-4H3,(H,32,38)/t;2*18-;16-/m.100/s1
InChIKeyJIBKDVAEFMRGJC-HSFWOSFPSA-N
XLogP13.24
TPSA566.16 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds38
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002474.59
LogP ≤ 513.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Analyze N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167683726
N-[3-[2-(difluoromethoxy)-5-[methyl(propyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157079631
N-[3-[2-(difluoromethoxy)-5-[methyl(propyl)sulfamoyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158889092
N-[3-[2-(difluoromethoxy)-5-(3-methylbutan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[methyl(propyl)sulfamoyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167603285
N-[3-[5-(azetidin-3-ylsulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155410483
N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159259718
N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155415348
N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164729976
N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfamoyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155415339
N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129177975
N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164729858
N-[3-[2-(difluoromethoxy)-5-[1-(3-methylcyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164949978

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158922937) is N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC[C@@H]1CCn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1.CN1CCC[C@H]1CCn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1.C[C@@H](Cn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1)N(C)C.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3cnn(C4CN5CCC4CC5)c3)ccc2OC(F)F)n1.
What is the InChIKey of N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JIBKDVAEFMRGJC-HSFWOSFPSA-N. The full InChI is InChI=1S/C28H27F2N9O4S.2C28H29F2N9O4S.C26H27F2N9O4S/c1-36-15-22(34-27(40)21-13-33-38-8-2-7-31-26(21)38)25(35-36)20-11-18(3-4-24(20)43-28(29)30)44(41,42)19-12-32-39(14-19)23-16-37-9-5-17(23)6-10-37;2*1-36-10-3-5-18(36)8-12-38-16-20(14-32-38)44(41,42)19-6-7-24(43-28(29)30)21(13-19)25-23(17-37(2)35-25)34-27(40)22-15-33-39-11-4-9-31-26(22)39;1-16(34(2)3)13-36-14-18(11-30-36)42(39,40)17-6-7-22(41-26(27)28)19(10-17)23-21(15-35(4)33-23)32-25(38)20-12-31-37-9-5-8-29-24(20)37/h2-4,7-8,11-15,17,23,28H,5-6,9-10,16H2,1H3,(H,34,40);2*4,6-7,9,11,13-18,28H,3,5,8,10,12H2,1-2H3,(H,34,40);5-12,14-16,26H,13H2,1-4H3,(H,32,38)/t;2*18-;16-/m.100/s1.
What are the key properties of N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2474.59 g/mol, XLogP of 13.24, 38 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrazol-4-yl]sulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2S)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158922937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).