9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

C135H80Cl3F28N33 — CID 167576679

IUPAC9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESCc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1Cl)=N2.Cc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1F)=N2.FCCc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1F)=N2.Fc1cc(F)c(C2=Nc3ccc(C(F)(F)F)cc3-c3[nH]ncc3N2)c(F)c1.Fc1cccc(Cl)c1C1=Nc2ccc(C(F)(F)F)cc2-c2[nH]ncc2N1.Fc1cccc(F)c1C1=Nc2ccc(C(F)(F)F)cc2-c2[nH]ncc2N1.Fc1cccc(F)c1C1=Nc2ccc(Cl)cc2-c2[nH]ncc2N1.Fc1cccc(F)c1C1=Nc2cnc(C(F)(F)F)cc2-c2[nH]ncc2N1
InChIInChI=1S/C18H13F3N4.C17H9ClF4N4.C17H12ClFN4.C17H8F6N4.C17H9F5N4.C17H12F2N4.C16H9ClF2N4.C16H8F5N5/c19-7-6-10-4-5-14-11(8-10)17-15(9-22-25-17)24-18(23-14)16-12(20)2-1-3-13(16)21;18-10-2-1-3-11(19)14(10)16-24-12-5-4-8(17(20,21)22)6-9(12)15-13(25-16)7-23-26-15;1-9-5-6-13-10(7-9)16-14(8-20-23-16)22-17(21-13)15-11(18)3-2-4-12(15)19;18-8-4-10(19)14(11(20)5-8)16-25-12-2-1-7(17(21,22)23)3-9(12)15-13(26-16)6-24-27-15;18-10-2-1-3-11(19)14(10)16-24-12-5-4-8(17(20,21)22)6-9(12)15-13(25-16)7-23-26-15;1-9-5-6-13-10(7-9)16-14(8-20-23-16)22-17(21-13)15-11(18)3-2-4-12(15)19;17-8-4-5-12-9(6-8)15-13(7-20-23-15)22-16(21-12)14-10(18)2-1-3-11(14)19;17-8-2-1-3-9(18)13(8)15-24-10-5-22-12(16(19,20)21)4-7(10)14-11(25-15)6-23-26-14/h1-5,8-9H,6-7H2,(H,22,25)(H,23,24);1-7H,(H,23,26)(H,24,25);2-8H,1H3,(H,20,23)(H,21,22);1-6H,(H,24,27)(H,25,26);1-7H,(H,23,26)(H,24,25);2-8H,1H3,(H,20,23)(H,21,22);1-7H,(H,20,23)(H,21,22);1-6H,(H,23,26)(H,24,25)
InChIKeyGPYFIVUAIRTITB-UHFFFAOYSA-N
MW2802.66 g/mol
LogP37.29
Rot. Bonds10

About 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (PubChem CID 167576679) has the molecular formula C135H80Cl3F28N33 and a molecular weight of 2802.66 g/mol. Its IUPAC name is 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.

Molecular Properties

Compound Name9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
PubChem CID167576679
Molecular FormulaC135H80Cl3F28N33
Molecular Weight2802.66 g/mol
Exact Mass2799.59
IUPAC Name9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESCc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1Cl)=N2.Cc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1F)=N2.FCCc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1F)=N2.Fc1cc(F)c(C2=Nc3ccc(C(F)(F)F)cc3-c3[nH]ncc3N2)c(F)c1.Fc1cccc(Cl)c1C1=Nc2ccc(C(F)(F)F)cc2-c2[nH]ncc2N1.Fc1cccc(F)c1C1=Nc2ccc(C(F)(F)F)cc2-c2[nH]ncc2N1.Fc1cccc(F)c1C1=Nc2ccc(Cl)cc2-c2[nH]ncc2N1.Fc1cccc(F)c1C1=Nc2cnc(C(F)(F)F)cc2-c2[nH]ncc2N1
InChIInChI=1S/C18H13F3N4.C17H9ClF4N4.C17H12ClFN4.C17H8F6N4.C17H9F5N4.C17H12F2N4.C16H9ClF2N4.C16H8F5N5/c19-7-6-10-4-5-14-11(8-10)17-15(9-22-25-17)24-18(23-14)16-12(20)2-1-3-13(16)21;18-10-2-1-3-11(19)14(10)16-24-12-5-4-8(17(20,21)22)6-9(12)15-13(25-16)7-23-26-15;1-9-5-6-13-10(7-9)16-14(8-20-23-16)22-17(21-13)15-11(18)3-2-4-12(15)19;18-8-4-10(19)14(11(20)5-8)16-25-12-2-1-7(17(21,22)23)3-9(12)15-13(26-16)6-24-27-15;18-10-2-1-3-11(19)14(10)16-24-12-5-4-8(17(20,21)22)6-9(12)15-13(25-16)7-23-26-15;1-9-5-6-13-10(7-9)16-14(8-20-23-16)22-17(21-13)15-11(18)3-2-4-12(15)19;17-8-4-5-12-9(6-8)15-13(7-20-23-15)22-16(21-12)14-10(18)2-1-3-11(14)19;17-8-2-1-3-9(18)13(8)15-24-10-5-22-12(16(19,20)21)4-7(10)14-11(25-15)6-23-26-14/h1-5,8-9H,6-7H2,(H,22,25)(H,23,24);1-7H,(H,23,26)(H,24,25);2-8H,1H3,(H,20,23)(H,21,22);1-6H,(H,24,27)(H,25,26);1-7H,(H,23,26)(H,24,25);2-8H,1H3,(H,20,23)(H,21,22);1-7H,(H,20,23)(H,21,22);1-6H,(H,23,26)(H,24,25)
InChIKeyGPYFIVUAIRTITB-UHFFFAOYSA-N
XLogP37.29
TPSA437.45 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002802.66
LogP ≤ 537.29
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Analyze 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The IUPAC name of 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (CID 167576679) is 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.
What is the SMILES notation for 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The canonical SMILES for 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is Cc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1Cl)=N2.Cc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1F)=N2.FCCc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1F)=N2.Fc1cc(F)c(C2=Nc3ccc(C(F)(F)F)cc3-c3[nH]ncc3N2)c(F)c1.Fc1cccc(Cl)c1C1=Nc2ccc(C(F)(F)F)cc2-c2[nH]ncc2N1.Fc1cccc(F)c1C1=Nc2ccc(C(F)(F)F)cc2-c2[nH]ncc2N1.Fc1cccc(F)c1C1=Nc2ccc(Cl)cc2-c2[nH]ncc2N1.Fc1cccc(F)c1C1=Nc2cnc(C(F)(F)F)cc2-c2[nH]ncc2N1.
What is the InChIKey of 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The InChIKey is GPYFIVUAIRTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4.C17H9ClF4N4.C17H12ClFN4.C17H8F6N4.C17H9F5N4.C17H12F2N4.C16H9ClF2N4.C16H8F5N5/c19-7-6-10-4-5-14-11(8-10)17-15(9-22-25-17)24-18(23-14)16-12(20)2-1-3-13(16)21;18-10-2-1-3-11(19)14(10)16-24-12-5-4-8(17(20,21)22)6-9(12)15-13(25-16)7-23-26-15;1-9-5-6-13-10(7-9)16-14(8-20-23-16)22-17(21-13)15-11(18)3-2-4-12(15)19;18-8-4-10(19)14(11(20)5-8)16-25-12-2-1-7(17(21,22)23)3-9(12)15-13(26-16)6-24-27-15;18-10-2-1-3-11(19)14(10)16-24-12-5-4-8(17(20,21)22)6-9(12)15-13(25-16)7-23-26-15;1-9-5-6-13-10(7-9)16-14(8-20-23-16)22-17(21-13)15-11(18)3-2-4-12(15)19;17-8-4-5-12-9(6-8)15-13(7-20-23-15)22-16(21-12)14-10(18)2-1-3-11(14)19;17-8-2-1-3-9(18)13(8)15-24-10-5-22-12(16(19,20)21)4-7(10)14-11(25-15)6-23-26-14/h1-5,8-9H,6-7H2,(H,22,25)(H,23,24);1-7H,(H,23,26)(H,24,25);2-8H,1H3,(H,20,23)(H,21,22);1-6H,(H,24,27)(H,25,26);1-7H,(H,23,26)(H,24,25);2-8H,1H3,(H,20,23)(H,21,22);1-7H,(H,20,23)(H,21,22);1-6H,(H,23,26)(H,24,25).
What are the key properties of 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine has a molecular weight of 2802.66 g/mol, XLogP of 37.29, 10 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is sourced from PubChem (CID 167576679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).