5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole

C21H22F2N4 — CID 134224744

IUPAC5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole
SMILESCC(C)c1[nH]nc2cc(CC(C)c3nn(C)c4ccc(F)cc34)c(F)cc12
InChIInChI=1S/C21H22F2N4/c1-11(2)20-15-10-17(23)13(8-18(15)24-25-20)7-12(3)21-16-9-14(22)5-6-19(16)27(4)26-21/h5-6,8-12H,7H2,1-4H3,(H,24,25)
InChIKeyWWHUMHJROLITJD-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.20
Rot. Bonds4

About 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole

5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole (PubChem CID 134224744) has the molecular formula C21H22F2N4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole.

Molecular Properties

Compound Name5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole
PubChem CID134224744
Molecular FormulaC21H22F2N4
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Name5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole
SMILESCC(C)c1[nH]nc2cc(CC(C)c3nn(C)c4ccc(F)cc34)c(F)cc12
InChIInChI=1S/C21H22F2N4/c1-11(2)20-15-10-17(23)13(8-18(15)24-25-20)7-12(3)21-16-9-14(22)5-6-19(16)27(4)26-21/h5-6,8-12H,7H2,1-4H3,(H,24,25)
InChIKeyWWHUMHJROLITJD-UHFFFAOYSA-N
XLogP5.20
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole?
The IUPAC name of 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole (CID 134224744) is 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole.
What is the SMILES notation for 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole?
The canonical SMILES for 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole is CC(C)c1[nH]nc2cc(CC(C)c3nn(C)c4ccc(F)cc34)c(F)cc12.
What is the InChIKey of 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole?
The InChIKey is WWHUMHJROLITJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4/c1-11(2)20-15-10-17(23)13(8-18(15)24-25-20)7-12(3)21-16-9-14(22)5-6-19(16)27(4)26-21/h5-6,8-12H,7H2,1-4H3,(H,24,25).
What are the key properties of 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole?
5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole has a molecular weight of 368.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[1-(5-fluoro-3-propan-2-yl-2H-indazol-6-yl)propan-2-yl]-1-methylindazole is sourced from PubChem (CID 134224744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).