5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole

C37H24F2N6 — CID 155371060

IUPAC5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole
SMILESCc1cc(-c2ncccc2-c2ccc3[nH]ncc3c2)ccc1-c1cnc(-c2cc(F)cc(F)c2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C37H24F2N6/c1-21-11-24(36-32(3-2-10-40-36)22-5-8-34-27(12-22)19-42-44-34)4-7-31(21)26-16-33(23-6-9-35-28(13-23)20-43-45-35)37(41-18-26)25-14-29(38)17-30(39)15-25/h2-20H,1H3,(H,42,44)(H,43,45)
InChIKeyHFSPGNBLIZWULC-UHFFFAOYSA-N
MW590.64 g/mol
LogP9.15
Rot. Bonds5

About 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole

5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole (PubChem CID 155371060) has the molecular formula C37H24F2N6 and a molecular weight of 590.64 g/mol. Its IUPAC name is 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole
PubChem CID155371060
Molecular FormulaC37H24F2N6
Molecular Weight590.64 g/mol
Exact Mass590.20
IUPAC Name5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole
SMILESCc1cc(-c2ncccc2-c2ccc3[nH]ncc3c2)ccc1-c1cnc(-c2cc(F)cc(F)c2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C37H24F2N6/c1-21-11-24(36-32(3-2-10-40-36)22-5-8-34-27(12-22)19-42-44-34)4-7-31(21)26-16-33(23-6-9-35-28(13-23)20-43-45-35)37(41-18-26)25-14-29(38)17-30(39)15-25/h2-20H,1H3,(H,42,44)(H,43,45)
InChIKeyHFSPGNBLIZWULC-UHFFFAOYSA-N
XLogP9.15
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068
N-[1-(3-fluoropropyl)azetidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine
CID 134453535
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 142509033
1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 150939945
5-fluoro-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 155151783
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
N-[(2S)-2-amino-3-phenylpropyl]-5-(3-methyl-1H-indazol-5-yl)pyridin-3-amine
CID 23647013
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
3-phenyl-5-(pyridin-4-yl)-1H-indazole
CID 9878588
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole?
The IUPAC name of 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole (CID 155371060) is 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole?
The canonical SMILES for 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole is Cc1cc(-c2ncccc2-c2ccc3[nH]ncc3c2)ccc1-c1cnc(-c2cc(F)cc(F)c2)c(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole?
The InChIKey is HFSPGNBLIZWULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F2N6/c1-21-11-24(36-32(3-2-10-40-36)22-5-8-34-27(12-22)19-42-44-34)4-7-31(21)26-16-33(23-6-9-35-28(13-23)20-43-45-35)37(41-18-26)25-14-29(38)17-30(39)15-25/h2-20H,1H3,(H,42,44)(H,43,45).
What are the key properties of 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole?
5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole has a molecular weight of 590.64 g/mol, XLogP of 9.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 155371060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).