N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H30F2N8O5S — CID 155430898

IUPACN-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H]1Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)N(C)CCO)ccc2OC(F)F)n1
InChIInChI=1S/C26H30F2N8O5S/c1-33-9-3-5-17(33)15-35-16-21(31-25(38)20-14-30-36-10-4-8-29-24(20)36)23(32-35)19-13-18(6-7-22(19)41-26(27)28)42(39,40)34(2)11-12-37/h4,6-8,10,13-14,16-17,26,37H,3,5,9,11-12,15H2,1-2H3,(H,31,38)/t17-/m1/s1
InChIKeyCGUJXYZNAULVCQ-QGZVFWFLSA-N
MW604.64 g/mol
LogP2.15
Rot. Bonds11

About N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155430898) has the molecular formula C26H30F2N8O5S and a molecular weight of 604.64 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155430898
Molecular FormulaC26H30F2N8O5S
Molecular Weight604.64 g/mol
Exact Mass604.20
IUPAC NameN-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H]1Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)N(C)CCO)ccc2OC(F)F)n1
InChIInChI=1S/C26H30F2N8O5S/c1-33-9-3-5-17(33)15-35-16-21(31-25(38)20-14-30-36-10-4-8-29-24(20)36)23(32-35)19-13-18(6-7-22(19)41-26(27)28)42(39,40)34(2)11-12-37/h4,6-8,10,13-14,16-17,26,37H,3,5,9,11-12,15H2,1-2H3,(H,31,38)/t17-/m1/s1
InChIKeyCGUJXYZNAULVCQ-QGZVFWFLSA-N
XLogP2.15
TPSA147.19 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.64
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-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-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155430898) is N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC[C@@H]1Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)N(C)CCO)ccc2OC(F)F)n1.
What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CGUJXYZNAULVCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H30F2N8O5S/c1-33-9-3-5-17(33)15-35-16-21(31-25(38)20-14-30-36-10-4-8-29-24(20)36)23(32-35)19-13-18(6-7-22(19)41-26(27)28)42(39,40)34(2)11-12-37/h4,6-8,10,13-14,16-17,26,37H,3,5,9,11-12,15H2,1-2H3,(H,31,38)/t17-/m1/s1.
What are the key properties of N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 604.64 g/mol, XLogP of 2.15, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(difluoromethoxy)-5-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155430898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).