1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole

C32H32F2N4 — CID 138690204

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole
SMILESCC(C)c1nn(CC(C)c2c[nH]c3ccc(F)cc23)c2ccc(CC(C)c3c[nH]c4cc(F)ccc34)cc12
InChIInChI=1S/C32H32F2N4/c1-18(2)32-26-12-21(11-19(3)27-15-36-30-14-23(34)6-8-24(27)30)5-10-31(26)38(37-32)17-20(4)28-16-35-29-9-7-22(33)13-25(28)29/h5-10,12-16,18-20,35-36H,11,17H2,1-4H3
InChIKeyIZZFPMQGLOEUJF-UHFFFAOYSA-N
MW510.63 g/mol
LogP8.55
Rot. Bonds7

About 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole

1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole (PubChem CID 138690204) has the molecular formula C32H32F2N4 and a molecular weight of 510.63 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole
PubChem CID138690204
Molecular FormulaC32H32F2N4
Molecular Weight510.63 g/mol
Exact Mass510.26
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole
SMILESCC(C)c1nn(CC(C)c2c[nH]c3ccc(F)cc23)c2ccc(CC(C)c3c[nH]c4cc(F)ccc34)cc12
InChIInChI=1S/C32H32F2N4/c1-18(2)32-26-12-21(11-19(3)27-15-36-30-14-23(34)6-8-24(27)30)5-10-31(26)38(37-32)17-20(4)28-16-35-29-9-7-22(33)13-25(28)29/h5-10,12-16,18-20,35-36H,11,17H2,1-4H3
InChIKeyIZZFPMQGLOEUJF-UHFFFAOYSA-N
XLogP8.55
TPSA49.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole (CID 138690204) is 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole is CC(C)c1nn(CC(C)c2c[nH]c3ccc(F)cc23)c2ccc(CC(C)c3c[nH]c4cc(F)ccc34)cc12.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole?
The InChIKey is IZZFPMQGLOEUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N4/c1-18(2)32-26-12-21(11-19(3)27-15-36-30-14-23(34)6-8-24(27)30)5-10-31(26)38(37-32)17-20(4)28-16-35-29-9-7-22(33)13-25(28)29/h5-10,12-16,18-20,35-36H,11,17H2,1-4H3.
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole?
1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole has a molecular weight of 510.63 g/mol, XLogP of 8.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)propyl]-5-[2-(6-fluoro-1H-indol-3-yl)propyl]-3-propan-2-ylindazole is sourced from PubChem (CID 138690204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).