5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole

C78H80Cl4F3N19O7S2 — CID 159449438

About 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole

5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole (PubChem CID 159449438) has the molecular formula C78H80Cl4F3N19O7S2 and a molecular weight of 1658.56 g/mol. Its IUPAC name is 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

• Compound Name: 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole
• PubChem CID: 159449438
• Molecular Formula: C78H80Cl4F3N19O7S2
• Molecular Weight: 1658.56 g/mol
• Exact Mass: 1655.46
• IUPAC Name: 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole
• SMILES: CC1(C)CN(c2cc(C(F)(F)F)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)c1ccc(Oc2cc(Cl)cc3[nH]ncc23)cc1.Cn1ncc2c1CCN(c1cc(Cl)cc3[nH]ncc13)C2.O=C1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C1Nc2ccccc2C12CCN(c1cc(Cl)cc3[nH]ncc13)CC2
• InChI: InChI=1S/C19H17ClN4O.C16H19ClN4O.C15H19F3N4O2S.C14H14ClN5.C14H11ClN2O3S/c20-12-9-16-13(11-21-23-16)17(10-12)24-7-5-19(6-8-24)14-3-1-2-4-15(14)22-18(19)25;17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22;1-14(2)9-21(4-5-22(14)25(3,23)24)13-7-10(15(16,17)18)6-12-11(13)8-19-20-12;1-19-13-2-3-20(8-9(13)6-17-19)14-5-10(15)4-12-11(14)7-16-18-12;1-21(18,19)11-4-2-10(3-5-11)20-14-7-9(15)6-13-12(14)8-16-17-13/h1-4,9-11H,5-8H2,(H,21,23)(H,22,25);8-10,12H,1-7H2,(H,18,19);6-8H,4-5,9H2,1-3H3,(H,19,20);4-7H,2-3,8H2,1H3,(H,16,18);2-8H,1H3,(H,16,17)
• InChIKey: LTEHMYSTLUIMOQ-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 304.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1658.56
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole?

The IUPAC name of 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole (CID 159449438) is 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole.

What is the SMILES notation for 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole?

The canonical SMILES for 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole is CC1(C)CN(c2cc(C(F)(F)F)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)c1ccc(Oc2cc(Cl)cc3[nH]ncc23)cc1.Cn1ncc2c1CCN(c1cc(Cl)cc3[nH]ncc13)C2.O=C1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C1Nc2ccccc2C12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.

What is the InChIKey of 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole?

The InChIKey is LTEHMYSTLUIMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O.C16H19ClN4O.C15H19F3N4O2S.C14H14ClN5.C14H11ClN2O3S/c20-12-9-16-13(11-21-23-16)17(10-12)24-7-5-19(6-8-24)14-3-1-2-4-15(14)22-18(19)25;17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22;1-14(2)9-21(4-5-22(14)25(3,23)24)13-7-10(15(16,17)18)6-12-11(13)8-19-20-12;1-19-13-2-3-20(8-9(13)6-17-19)14-5-10(15)4-12-11(14)7-16-18-12;1-21(18,19)11-4-2-10(3-5-11)20-14-7-9(15)6-13-12(14)8-16-17-13/h1-4,9-11H,5-8H2,(H,21,23)(H,22,25);8-10,12H,1-7H2,(H,18,19);6-8H,4-5,9H2,1-3H3,(H,19,20);4-7H,2-3,8H2,1H3,(H,16,18);2-8H,1H3,(H,16,17).

What are the key properties of 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole?

5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole has a molecular weight of 1658.56 g/mol, XLogP of 14.88, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 159449438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).