N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C93H71F8N27O17S4 — CID 159438770

IUPACN-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)C3=CCN=C3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3ccccc3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3cccnc3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3ccn(C)c(=O)c3)ccc2OC(F)F)n1
InChIInChI=1S/C24H19F2N7O5S.C24H18F2N6O4S.C23H17F2N7O4S.C22H17F2N7O4S/c1-31-9-6-15(11-20(31)34)39(36,37)14-4-5-19(38-24(25)26)16(10-14)21-18(13-32(2)30-21)29-23(35)17-12-28-33-8-3-7-27-22(17)33;1-31-14-19(29-23(33)18-13-28-32-11-5-10-27-22(18)32)21(30-31)17-12-16(8-9-20(17)36-24(25)26)37(34,35)15-6-3-2-4-7-15;1-31-13-18(29-22(33)17-12-28-32-9-3-8-27-21(17)32)20(30-31)16-10-14(5-6-19(16)36-23(24)25)37(34,35)15-4-2-7-26-11-15;1-30-12-17(28-21(32)16-11-27-31-8-2-6-26-20(16)31)19(29-30)15-9-13(3-4-18(15)35-22(23)24)36(33,34)14-5-7-25-10-14/h3-13,24H,1-2H3,(H,29,35);2-14,24H,1H3,(H,29,33);2-13,23H,1H3,(H,29,33);2-6,8-12,22H,7H2,1H3,(H,28,32)
InChIKeyLRXGTRHXQNEIHB-UHFFFAOYSA-N
MW2119.01 g/mol
LogP12.27
Rot. Bonds28

About N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159438770) has the molecular formula C93H71F8N27O17S4 and a molecular weight of 2119.01 g/mol. Its IUPAC name is N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159438770
Molecular FormulaC93H71F8N27O17S4
Molecular Weight2119.01 g/mol
Exact Mass2117.43
IUPAC NameN-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)C3=CCN=C3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3ccccc3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3cccnc3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3ccn(C)c(=O)c3)ccc2OC(F)F)n1
InChIInChI=1S/C24H19F2N7O5S.C24H18F2N6O4S.C23H17F2N7O4S.C22H17F2N7O4S/c1-31-9-6-15(11-20(31)34)39(36,37)14-4-5-19(38-24(25)26)16(10-14)21-18(13-32(2)30-21)29-23(35)17-12-28-33-8-3-7-27-22(17)33;1-31-14-19(29-23(33)18-13-28-32-11-5-10-27-22(18)32)21(30-31)17-12-16(8-9-20(17)36-24(25)26)37(34,35)15-6-3-2-4-7-15;1-31-13-18(29-22(33)17-12-28-32-9-3-8-27-21(17)32)20(30-31)16-10-14(5-6-19(16)36-23(24)25)37(34,35)15-4-2-7-26-11-15;1-30-12-17(28-21(32)16-11-27-31-8-2-6-26-20(16)31)19(29-30)15-9-13(3-4-18(15)35-22(23)24)36(33,34)14-5-7-25-10-14/h3-13,24H,1-2H3,(H,29,35);2-14,24H,1H3,(H,29,33);2-13,23H,1H3,(H,29,33);2-6,8-12,22H,7H2,1H3,(H,28,32)
InChIKeyLRXGTRHXQNEIHB-UHFFFAOYSA-N
XLogP12.27
TPSA529.17 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002119.01
LogP ≤ 512.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159438770) is N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)C3=CCN=C3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3ccccc3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3cccnc3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3ccn(C)c(=O)c3)ccc2OC(F)F)n1.
What is the InChIKey of N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LRXGTRHXQNEIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O5S.C24H18F2N6O4S.C23H17F2N7O4S.C22H17F2N7O4S/c1-31-9-6-15(11-20(31)34)39(36,37)14-4-5-19(38-24(25)26)16(10-14)21-18(13-32(2)30-21)29-23(35)17-12-28-33-8-3-7-27-22(17)33;1-31-14-19(29-23(33)18-13-28-32-11-5-10-27-22(18)32)21(30-31)17-12-16(8-9-20(17)36-24(25)26)37(34,35)15-6-3-2-4-7-15;1-31-13-18(29-22(33)17-12-28-32-9-3-8-27-21(17)32)20(30-31)16-10-14(5-6-19(16)36-23(24)25)37(34,35)15-4-2-7-26-11-15;1-30-12-17(28-21(32)16-11-27-31-8-2-6-26-20(16)31)19(29-30)15-9-13(3-4-18(15)35-22(23)24)36(33,34)14-5-7-25-10-14/h3-13,24H,1-2H3,(H,29,35);2-14,24H,1H3,(H,29,33);2-13,23H,1H3,(H,29,33);2-6,8-12,22H,7H2,1H3,(H,28,32).
What are the key properties of N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2119.01 g/mol, XLogP of 12.27, 28 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(benzenesulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159438770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).