6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline

C91H63F6N15 — CID 161079221

IUPAC6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
SMILESCc1cc(-c2ncccc2-c2ccc3cn[nH]c3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3cn[nH]c3c2)cc1.Fc1ccc(-c2ncccc2-c2ccc3cn[nH]c3c2)cc1F.Fc1cccc(-c2ncccc2-c2ccc3cn[nH]c3c2)c1.[H]/N=C/c1ccc(-c2cccnc2-c2ccccc2F)cc1N
InChIInChI=1S/C19H14FN3.C18H11F2N3.2C18H12FN3.C18H14FN3/c1-12-9-14(6-7-17(12)20)19-16(3-2-8-21-19)13-4-5-15-11-22-23-18(15)10-13;19-15-6-5-12(8-16(15)20)18-14(2-1-7-21-18)11-3-4-13-10-22-23-17(13)9-11;19-15-4-1-3-13(9-15)18-16(5-2-8-20-18)12-6-7-14-11-21-22-17(14)10-12;19-15-7-5-12(6-8-15)18-16(2-1-9-20-18)13-3-4-14-11-21-22-17(14)10-13;19-16-6-2-1-4-15(16)18-14(5-3-9-22-18)12-7-8-13(11-20)17(21)10-12/h2-11H,1H3,(H,22,23);1-10H,(H,22,23);2*1-11H,(H,21,22);1-11,20H,21H2/b;;;;20-11+
InChIKeyUFRMUNBBFCFEAW-SRTOAQAKSA-N
MW1480.60 g/mol
LogP22.31
Rot. Bonds11

About 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline

6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline (PubChem CID 161079221) has the molecular formula C91H63F6N15 and a molecular weight of 1480.60 g/mol. Its IUPAC name is 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline.

Molecular Properties

Compound Name6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
PubChem CID161079221
Molecular FormulaC91H63F6N15
Molecular Weight1480.60 g/mol
Exact Mass1479.53
IUPAC Name6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
SMILESCc1cc(-c2ncccc2-c2ccc3cn[nH]c3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3cn[nH]c3c2)cc1.Fc1ccc(-c2ncccc2-c2ccc3cn[nH]c3c2)cc1F.Fc1cccc(-c2ncccc2-c2ccc3cn[nH]c3c2)c1.[H]/N=C/c1ccc(-c2cccnc2-c2ccccc2F)cc1N
InChIInChI=1S/C19H14FN3.C18H11F2N3.2C18H12FN3.C18H14FN3/c1-12-9-14(6-7-17(12)20)19-16(3-2-8-21-19)13-4-5-15-11-22-23-18(15)10-13;19-15-6-5-12(8-16(15)20)18-14(2-1-7-21-18)11-3-4-13-10-22-23-17(13)9-11;19-15-4-1-3-13(9-15)18-16(5-2-8-20-18)12-6-7-14-11-21-22-17(14)10-12;19-15-7-5-12(6-8-15)18-16(2-1-9-20-18)13-3-4-14-11-21-22-17(14)10-13;19-16-6-2-1-4-15(16)18-14(5-3-9-22-18)12-7-8-13(11-20)17(21)10-12/h2-11H,1H3,(H,22,23);1-10H,(H,22,23);2*1-11H,(H,21,22);1-11,20H,21H2/b;;;;20-11+
InChIKeyUFRMUNBBFCFEAW-SRTOAQAKSA-N
XLogP22.31
TPSA229.04 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001480.60
LogP ≤ 522.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline?
The IUPAC name of 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline (CID 161079221) is 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline.
What is the SMILES notation for 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline?
The canonical SMILES for 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline is Cc1cc(-c2ncccc2-c2ccc3cn[nH]c3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3cn[nH]c3c2)cc1.Fc1ccc(-c2ncccc2-c2ccc3cn[nH]c3c2)cc1F.Fc1cccc(-c2ncccc2-c2ccc3cn[nH]c3c2)c1.[H]/N=C/c1ccc(-c2cccnc2-c2ccccc2F)cc1N.
What is the InChIKey of 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline?
The InChIKey is UFRMUNBBFCFEAW-SRTOAQAKSA-N. The full InChI is InChI=1S/C19H14FN3.C18H11F2N3.2C18H12FN3.C18H14FN3/c1-12-9-14(6-7-17(12)20)19-16(3-2-8-21-19)13-4-5-15-11-22-23-18(15)10-13;19-15-6-5-12(8-16(15)20)18-14(2-1-7-21-18)11-3-4-13-10-22-23-17(13)9-11;19-15-4-1-3-13(9-15)18-16(5-2-8-20-18)12-6-7-14-11-21-22-17(14)10-12;19-15-7-5-12(6-8-15)18-16(2-1-9-20-18)13-3-4-14-11-21-22-17(14)10-13;19-16-6-2-1-4-15(16)18-14(5-3-9-22-18)12-7-8-13(11-20)17(21)10-12/h2-11H,1H3,(H,22,23);1-10H,(H,22,23);2*1-11H,(H,21,22);1-11,20H,21H2/b;;;;20-11+.
What are the key properties of 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline?
6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline has a molecular weight of 1480.60 g/mol, XLogP of 22.31, 11 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1H-indazole;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline is sourced from PubChem (CID 161079221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).