5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole

C74H80Cl5N25O3S — CID 158008898

IUPAC5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
SMILESCNC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)NCCn1cc(-c2cc(Cl)cc3[nH]ncc23)cn1.Cc1nn(C)c2c1CN(c1cc(Cl)cc3[nH]ncc13)CC2.Clc1cc(N2CCN(c3cccnc3)CC2)c2cn[nH]c2c1.Clc1cc(N2CCN(c3ccncc3)CC2)c2cn[nH]c2c1
InChIInChI=1S/2C16H16ClN5.C15H16ClN5.C14H18ClN5O.C13H14ClN5O2S/c17-12-9-15-14(11-19-20-15)16(10-12)22-7-5-21(6-8-22)13-1-3-18-4-2-13;17-12-8-15-14(11-19-20-15)16(9-12)22-6-4-21(5-7-22)13-2-1-3-18-10-13;1-9-12-8-21(4-3-14(12)20(2)19-9)15-6-10(16)5-13-11(15)7-17-18-13;1-16-14(21)18-10-2-4-20(5-3-10)13-7-9(15)6-12-11(13)8-17-19-12;1-22(20,21)17-2-3-19-8-9(6-16-19)11-4-10(14)5-13-12(11)7-15-18-13/h1-4,9-11H,5-8H2,(H,19,20);1-3,8-11H,4-7H2,(H,19,20);5-7H,3-4,8H2,1-2H3,(H,17,18);6-8,10H,2-5H2,1H3,(H,17,19)(H2,16,18,21);4-8,17H,2-3H2,1H3,(H,15,18)
InChIKeyFEQGCECVPDOOBP-UHFFFAOYSA-N
MW1576.96 g/mol
LogP12.44
Rot. Bonds12

About 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole

5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole (PubChem CID 158008898) has the molecular formula C74H80Cl5N25O3S and a molecular weight of 1576.96 g/mol. Its IUPAC name is 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
PubChem CID158008898
Molecular FormulaC74H80Cl5N25O3S
Molecular Weight1576.96 g/mol
Exact Mass1573.50
IUPAC Name5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
SMILESCNC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)NCCn1cc(-c2cc(Cl)cc3[nH]ncc23)cn1.Cc1nn(C)c2c1CN(c1cc(Cl)cc3[nH]ncc13)CC2.Clc1cc(N2CCN(c3cccnc3)CC2)c2cn[nH]c2c1.Clc1cc(N2CCN(c3ccncc3)CC2)c2cn[nH]c2c1
InChIInChI=1S/2C16H16ClN5.C15H16ClN5.C14H18ClN5O.C13H14ClN5O2S/c17-12-9-15-14(11-19-20-15)16(10-12)22-7-5-21(6-8-22)13-1-3-18-4-2-13;17-12-8-15-14(11-19-20-15)16(9-12)22-6-4-21(5-7-22)13-2-1-3-18-10-13;1-9-12-8-21(4-3-14(12)20(2)19-9)15-6-10(16)5-13-11(15)7-17-18-13;1-16-14(21)18-10-2-4-20(5-3-10)13-7-9(15)6-12-11(13)8-17-19-12;1-22(20,21)17-2-3-19-8-9(6-16-19)11-4-10(14)5-13-12(11)7-15-18-13/h1-4,9-11H,5-8H2,(H,19,20);1-3,8-11H,4-7H2,(H,19,20);5-7H,3-4,8H2,1-2H3,(H,17,18);6-8,10H,2-5H2,1H3,(H,17,19)(H2,16,18,21);4-8,17H,2-3H2,1H3,(H,15,18)
InChIKeyFEQGCECVPDOOBP-UHFFFAOYSA-N
XLogP12.44
TPSA311.56 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms108
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001576.96
LogP ≤ 512.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole (CID 158008898) is 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole is CNC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)NCCn1cc(-c2cc(Cl)cc3[nH]ncc23)cn1.Cc1nn(C)c2c1CN(c1cc(Cl)cc3[nH]ncc13)CC2.Clc1cc(N2CCN(c3cccnc3)CC2)c2cn[nH]c2c1.Clc1cc(N2CCN(c3ccncc3)CC2)c2cn[nH]c2c1.
What is the InChIKey of 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
The InChIKey is FEQGCECVPDOOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16ClN5.C15H16ClN5.C14H18ClN5O.C13H14ClN5O2S/c17-12-9-15-14(11-19-20-15)16(10-12)22-7-5-21(6-8-22)13-1-3-18-4-2-13;17-12-8-15-14(11-19-20-15)16(9-12)22-6-4-21(5-7-22)13-2-1-3-18-10-13;1-9-12-8-21(4-3-14(12)20(2)19-9)15-6-10(16)5-13-11(15)7-17-18-13;1-16-14(21)18-10-2-4-20(5-3-10)13-7-9(15)6-12-11(13)8-17-19-12;1-22(20,21)17-2-3-19-8-9(6-16-19)11-4-10(14)5-13-12(11)7-15-18-13/h1-4,9-11H,5-8H2,(H,19,20);1-3,8-11H,4-7H2,(H,19,20);5-7H,3-4,8H2,1-2H3,(H,17,18);6-8,10H,2-5H2,1H3,(H,17,19)(H2,16,18,21);4-8,17H,2-3H2,1H3,(H,15,18).
What are the key properties of 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole has a molecular weight of 1576.96 g/mol, XLogP of 12.44, 12 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1H-indazol-4-yl)-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylurea;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 158008898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).