N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C87H65Cl4F8N27O15 — CID 162117172

IUPACN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1[nH]cc(-n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)c1=O.O=C(Nc1cn(C2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@@H]2CCN(C3COC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@H]2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C24H20ClF2N7O4.C21H15ClF2N8O3.2C21H15ClF2N6O4/c25-13-2-3-19(38-24(26)27)15(8-13)20-17(30-22(35)16-9-29-33-6-1-5-28-21(16)33)10-34(31-20)18-4-7-32(23(18)36)14-11-37-12-14;1-30-20(34)15(9-26-30)32-10-14(28-19(33)13-8-27-31-6-2-5-25-18(13)31)17(29-32)12-7-11(22)3-4-16(12)35-21(23)24;2*22-11-2-3-16(34-21(23)24)12(8-11)17-14(10-30(28-17)15-4-7-33-20(15)32)27-19(31)13-9-26-29-6-1-5-25-18(13)29/h1-3,5-6,8-10,14,18,24H,4,7,11-12H2,(H,30,35);2-10,21,26H,1H3,(H,28,33);2*1-3,5-6,8-10,15,21H,4,7H2,(H,27,31)/t18-;;15-;/m1.0./s1
InChIKeyZGXOWWWJUWVVAO-JBDLQNOCSA-N
MW2022.45 g/mol
LogP13.56
Rot. Bonds25

About N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162117172) has the molecular formula C87H65Cl4F8N27O15 and a molecular weight of 2022.45 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID162117172
Molecular FormulaC87H65Cl4F8N27O15
Molecular Weight2022.45 g/mol
Exact Mass2019.38
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1[nH]cc(-n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)c1=O.O=C(Nc1cn(C2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@@H]2CCN(C3COC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@H]2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C24H20ClF2N7O4.C21H15ClF2N8O3.2C21H15ClF2N6O4/c25-13-2-3-19(38-24(26)27)15(8-13)20-17(30-22(35)16-9-29-33-6-1-5-28-21(16)33)10-34(31-20)18-4-7-32(23(18)36)14-11-37-12-14;1-30-20(34)15(9-26-30)32-10-14(28-19(33)13-8-27-31-6-2-5-25-18(13)31)17(29-32)12-7-11(22)3-4-16(12)35-21(23)24;2*22-11-2-3-16(34-21(23)24)12(8-11)17-14(10-30(28-17)15-4-7-33-20(15)32)27-19(31)13-9-26-29-6-1-5-25-18(13)29/h1-3,5-6,8-10,14,18,24H,4,7,11-12H2,(H,30,35);2-10,21,26H,1H3,(H,28,33);2*1-3,5-6,8-10,15,21H,4,7H2,(H,27,31)/t18-;;15-;/m1.0./s1
InChIKeyZGXOWWWJUWVVAO-JBDLQNOCSA-N
XLogP13.56
TPSA465.29 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms141
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002022.45
LogP ≤ 513.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162117172) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1[nH]cc(-n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)c1=O.O=C(Nc1cn(C2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@@H]2CCN(C3COC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@H]2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZGXOWWWJUWVVAO-JBDLQNOCSA-N. The full InChI is InChI=1S/C24H20ClF2N7O4.C21H15ClF2N8O3.2C21H15ClF2N6O4/c25-13-2-3-19(38-24(26)27)15(8-13)20-17(30-22(35)16-9-29-33-6-1-5-28-21(16)33)10-34(31-20)18-4-7-32(23(18)36)14-11-37-12-14;1-30-20(34)15(9-26-30)32-10-14(28-19(33)13-8-27-31-6-2-5-25-18(13)31)17(29-32)12-7-11(22)3-4-16(12)35-21(23)24;2*22-11-2-3-16(34-21(23)24)12(8-11)17-14(10-30(28-17)15-4-7-33-20(15)32)27-19(31)13-9-26-29-6-1-5-25-18(13)29/h1-3,5-6,8-10,14,18,24H,4,7,11-12H2,(H,30,35);2-10,21,26H,1H3,(H,28,33);2*1-3,5-6,8-10,15,21H,4,7H2,(H,27,31)/t18-;;15-;/m1.0./s1.
What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2022.45 g/mol, XLogP of 13.56, 25 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(oxetan-3-yl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162117172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).