[3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone

C142H124ClF12N25O6 — CID 161283513

About [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone

[3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone (PubChem CID 161283513) has the molecular formula C142H124ClF12N25O6 and a molecular weight of 2540.15 g/mol. Its IUPAC name is [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone.

Molecular Properties

• Compound Name: [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
• PubChem CID: 161283513
• Molecular Formula: C142H124ClF12N25O6
• Molecular Weight: 2540.15 g/mol
• Exact Mass: 2537.97
• IUPAC Name: [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
• SMILES: Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)c1.Cc1ccc2cn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)nc2c1.Cc1ccc2nn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)cc2c1.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3cc4cccc(Cl)c4n3)(C1)C2.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3ncc4ccccc43)(C1)C2.[C-]#[N+]c1ccc2cnn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)c2c1
• InChI: InChI=1S/C24H19F2N5O.3C24H22F2N4O.C23H19ClF2N4O.C23H20F2N4O/c1-27-19-3-2-15-10-29-30(21(15)9-19)14-23-11-24(12-23,13-23)22(32)31-20(4-5-28-31)16-6-17(25)8-18(26)7-16;1-15-2-3-20-17(6-15)10-29(28-20)14-23-11-24(12-23,13-23)22(31)30-21(4-5-27-30)16-7-18(25)9-19(26)8-16;1-15-2-3-20-17(6-15)10-28-29(20)14-23-11-24(12-23,13-23)22(31)30-21(4-5-27-30)16-7-18(25)9-19(26)8-16;1-15-2-3-16-10-29(28-20(16)6-15)14-23-11-24(12-23,13-23)22(31)30-21(4-5-27-30)17-7-18(25)9-19(26)8-17;24-18-3-1-2-14-9-29(28-20(14)18)13-22-10-23(11-22,12-22)21(31)30-19(4-5-27-30)15-6-16(25)8-17(26)7-15;24-17-7-16(8-18(25)9-17)20-5-6-26-29(20)21(30)23-11-22(12-23,13-23)14-28-19-4-2-1-3-15(19)10-27-28/h2-3,5-10,20H,4,11-14H2;3*2-3,5-10,21H,4,11-14H2,1H3;1-3,5-9,19H,4,10-13H2;1-4,6-10,20H,5,11-14H2
• InChIKey: VFKHEGNFESGZTP-UHFFFAOYSA-N
• XLogP: 28.79
• TPSA: 307.30 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2540.15
LogP ≤ 5	28.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?

The IUPAC name of [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone (CID 161283513) is [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone.

What is the SMILES notation for [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?

The canonical SMILES for [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone is Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)c1.Cc1ccc2cn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)nc2c1.Cc1ccc2nn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)cc2c1.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3cc4cccc(Cl)c4n3)(C1)C2.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3ncc4ccccc43)(C1)C2.[C-]#[N+]c1ccc2cnn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)c2c1.

What is the InChIKey of [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?

The InChIKey is VFKHEGNFESGZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O.3C24H22F2N4O.C23H19ClF2N4O.C23H20F2N4O/c1-27-19-3-2-15-10-29-30(21(15)9-19)14-23-11-24(12-23,13-23)22(32)31-20(4-5-28-31)16-6-17(25)8-18(26)7-16;1-15-2-3-20-17(6-15)10-29(28-20)14-23-11-24(12-23,13-23)22(31)30-21(4-5-27-30)16-7-18(25)9-19(26)8-16;1-15-2-3-20-17(6-15)10-28-29(20)14-23-11-24(12-23,13-23)22(31)30-21(4-5-27-30)16-7-18(25)9-19(26)8-16;1-15-2-3-16-10-29(28-20(16)6-15)14-23-11-24(12-23,13-23)22(31)30-21(4-5-27-30)17-7-18(25)9-19(26)8-17;24-18-3-1-2-14-9-29(28-20(14)18)13-22-10-23(11-22,12-22)21(31)30-19(4-5-27-30)15-6-16(25)8-17(26)7-15;24-17-7-16(8-18(25)9-17)20-5-6-26-29(20)21(30)23-11-22(12-23,13-23)14-28-19-4-2-1-3-15(19)10-27-28/h2-3,5-10,20H,4,11-14H2;3*2-3,5-10,21H,4,11-14H2,1H3;1-3,5-9,19H,4,10-13H2;1-4,6-10,20H,5,11-14H2.

What are the key properties of [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?

[3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone has a molecular weight of 2540.15 g/mol, XLogP of 28.79, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(7-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(indazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-isocyanoindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-methylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone is sourced from PubChem (CID 161283513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).