3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole

C16H12F2N4 — CID 171599981

IUPAC3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole
SMILESCc1cccc2c(-c3ccc(F)c4nn(C)c(F)c34)[nH]nc12
InChIInChI=1S/C16H12F2N4/c1-8-4-3-5-10-13(8)19-20-14(10)9-6-7-11(17)15-12(9)16(18)22(2)21-15/h3-7H,1-2H3,(H,19,20)
InChIKeyNIPXMLUGUCHNGK-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.70
Rot. Bonds1

About 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole

3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole (PubChem CID 171599981) has the molecular formula C16H12F2N4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole.

Molecular Properties

Compound Name3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole
PubChem CID171599981
Molecular FormulaC16H12F2N4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole
SMILESCc1cccc2c(-c3ccc(F)c4nn(C)c(F)c34)[nH]nc12
InChIInChI=1S/C16H12F2N4/c1-8-4-3-5-10-13(8)19-20-14(10)9-6-7-11(17)15-12(9)16(18)22(2)21-15/h3-7H,1-2H3,(H,19,20)
InChIKeyNIPXMLUGUCHNGK-UHFFFAOYSA-N
XLogP3.70
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole?
The IUPAC name of 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole (CID 171599981) is 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole.
What is the SMILES notation for 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole?
The canonical SMILES for 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole is Cc1cccc2c(-c3ccc(F)c4nn(C)c(F)c34)[nH]nc12.
What is the InChIKey of 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole?
The InChIKey is NIPXMLUGUCHNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4/c1-8-4-3-5-10-13(8)19-20-14(10)9-6-7-11(17)15-12(9)16(18)22(2)21-15/h3-7H,1-2H3,(H,19,20).
What are the key properties of 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole?
3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole has a molecular weight of 298.30 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-difluoro-2-methyl-4-(7-methyl-2H-indazol-3-yl)indazole is sourced from PubChem (CID 171599981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).