5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole

C57H38F3N9 — CID 155371057

IUPAC5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole
SMILESCc1ccc(-c2ncc(-c3cc(F)c(-c4ncc(Cc5ccc(-c6ncccc6-c6ccc7[nH]ncc7c6)c(F)c5)cc4-c4ccc5[nH]ncc5c4)cc3C)cc2-c2ccc3[nH]ncc3c2)cc1F
InChIInChI=1S/C57H38F3N9/c1-31-5-7-38(24-49(31)58)55-47(37-10-14-54-42(22-37)30-66-69-54)23-39(27-63-55)45-25-51(60)48(16-32(45)2)57-46(36-9-13-53-41(21-36)29-65-68-53)18-34(26-62-57)17-33-6-11-44(50(59)19-33)56-43(4-3-15-61-56)35-8-12-52-40(20-35)28-64-67-52/h3-16,18-30H,17H2,1-2H3,(H,64,67)(H,65,68)(H,66,69)
InChIKeyQYQQLMYXQQKOKE-UHFFFAOYSA-N
MW905.99 g/mol
LogP13.79
Rot. Bonds9

About 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole

5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole (PubChem CID 155371057) has the molecular formula C57H38F3N9 and a molecular weight of 905.99 g/mol. Its IUPAC name is 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole
PubChem CID155371057
Molecular FormulaC57H38F3N9
Molecular Weight905.99 g/mol
Exact Mass905.32
IUPAC Name5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole
SMILESCc1ccc(-c2ncc(-c3cc(F)c(-c4ncc(Cc5ccc(-c6ncccc6-c6ccc7[nH]ncc7c6)c(F)c5)cc4-c4ccc5[nH]ncc5c4)cc3C)cc2-c2ccc3[nH]ncc3c2)cc1F
InChIInChI=1S/C57H38F3N9/c1-31-5-7-38(24-49(31)58)55-47(37-10-14-54-42(22-37)30-66-69-54)23-39(27-63-55)45-25-51(60)48(16-32(45)2)57-46(36-9-13-53-41(21-36)29-65-68-53)18-34(26-62-57)17-33-6-11-44(50(59)19-33)56-43(4-3-15-61-56)35-8-12-52-40(20-35)28-64-67-52/h3-16,18-30H,17H2,1-2H3,(H,64,67)(H,65,68)(H,66,69)
InChIKeyQYQQLMYXQQKOKE-UHFFFAOYSA-N
XLogP13.79
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.99
LogP ≤ 513.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole?
The IUPAC name of 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole (CID 155371057) is 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole?
The canonical SMILES for 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole is Cc1ccc(-c2ncc(-c3cc(F)c(-c4ncc(Cc5ccc(-c6ncccc6-c6ccc7[nH]ncc7c6)c(F)c5)cc4-c4ccc5[nH]ncc5c4)cc3C)cc2-c2ccc3[nH]ncc3c2)cc1F.
What is the InChIKey of 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole?
The InChIKey is QYQQLMYXQQKOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38F3N9/c1-31-5-7-38(24-49(31)58)55-47(37-10-14-54-42(22-37)30-66-69-54)23-39(27-63-55)45-25-51(60)48(16-32(45)2)57-46(36-9-13-53-41(21-36)29-65-68-53)18-34(26-62-57)17-33-6-11-44(50(59)19-33)56-43(4-3-15-61-56)35-8-12-52-40(20-35)28-64-67-52/h3-16,18-30H,17H2,1-2H3,(H,64,67)(H,65,68)(H,66,69).
What are the key properties of 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole?
5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole has a molecular weight of 905.99 g/mol, XLogP of 13.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 155371057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).