N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C32H36F2N10O3S — CID 129164814

IUPACN-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Sc1ccc(OC(F)F)c(-c2nn(Cc3cn(C4CCN(C5CCOC5)CC4)nn3)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C32H36F2N10O3S/c1-20(2)48-24-4-5-28(47-32(33)34)25(14-24)29-27(37-31(45)26-15-36-43-10-3-9-35-30(26)43)18-42(39-29)16-21-17-44(40-38-21)22-6-11-41(12-7-22)23-8-13-46-19-23/h3-5,9-10,14-15,17-18,20,22-23,32H,6-8,11-13,16,19H2,1-2H3,(H,37,45)
InChIKeyWYDUVWHFJKFYIU-UHFFFAOYSA-N
MW678.77 g/mol
LogP5.01
Rot. Bonds11

About N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129164814) has the molecular formula C32H36F2N10O3S and a molecular weight of 678.77 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129164814
Molecular FormulaC32H36F2N10O3S
Molecular Weight678.77 g/mol
Exact Mass678.27
IUPAC NameN-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Sc1ccc(OC(F)F)c(-c2nn(Cc3cn(C4CCN(C5CCOC5)CC4)nn3)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C32H36F2N10O3S/c1-20(2)48-24-4-5-28(47-32(33)34)25(14-24)29-27(37-31(45)26-15-36-43-10-3-9-35-30(26)43)18-42(39-29)16-21-17-44(40-38-21)22-6-11-41(12-7-22)23-8-13-46-19-23/h3-5,9-10,14-15,17-18,20,22-23,32H,6-8,11-13,16,19H2,1-2H3,(H,37,45)
InChIKeyWYDUVWHFJKFYIU-UHFFFAOYSA-N
XLogP5.01
TPSA129.52 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500678.77
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129164814) is N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Sc1ccc(OC(F)F)c(-c2nn(Cc3cn(C4CCN(C5CCOC5)CC4)nn3)cc2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WYDUVWHFJKFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N10O3S/c1-20(2)48-24-4-5-28(47-32(33)34)25(14-24)29-27(37-31(45)26-15-36-43-10-3-9-35-30(26)43)18-42(39-29)16-21-17-44(40-38-21)22-6-11-41(12-7-22)23-8-13-46-19-23/h3-5,9-10,14-15,17-18,20,22-23,32H,6-8,11-13,16,19H2,1-2H3,(H,37,45).
What are the key properties of N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 678.77 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-(oxolan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129164814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).