6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole

C25H23FN4 — CID 141039319

IUPAC6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole
SMILESCn1cc(-c2c[nH]cc2-c2c[nH]c3cc(N4CCCC4)ccc23)c2ccc(F)cc21
InChIInChI=1S/C25H23FN4/c1-29-15-23(19-6-4-16(26)10-25(19)29)21-13-27-12-20(21)22-14-28-24-11-17(5-7-18(22)24)30-8-2-3-9-30/h4-7,10-15,27-28H,2-3,8-9H2,1H3
InChIKeyWHDOHUGZNHZLMR-UHFFFAOYSA-N
MW398.49 g/mol
LogP6.06
Rot. Bonds3

About 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole

6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole (PubChem CID 141039319) has the molecular formula C25H23FN4 and a molecular weight of 398.49 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole
PubChem CID141039319
Molecular FormulaC25H23FN4
Molecular Weight398.49 g/mol
Exact Mass398.19
IUPAC Name6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole
SMILESCn1cc(-c2c[nH]cc2-c2c[nH]c3cc(N4CCCC4)ccc23)c2ccc(F)cc21
InChIInChI=1S/C25H23FN4/c1-29-15-23(19-6-4-16(26)10-25(19)29)21-13-27-12-20(21)22-14-28-24-11-17(5-7-18(22)24)30-8-2-3-9-30/h4-7,10-15,27-28H,2-3,8-9H2,1H3
InChIKeyWHDOHUGZNHZLMR-UHFFFAOYSA-N
XLogP6.06
TPSA39.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole?
The IUPAC name of 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole (CID 141039319) is 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole.
What is the SMILES notation for 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole?
The canonical SMILES for 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole is Cn1cc(-c2c[nH]cc2-c2c[nH]c3cc(N4CCCC4)ccc23)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole?
The InChIKey is WHDOHUGZNHZLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4/c1-29-15-23(19-6-4-16(26)10-25(19)29)21-13-27-12-20(21)22-14-28-24-11-17(5-7-18(22)24)30-8-2-3-9-30/h4-7,10-15,27-28H,2-3,8-9H2,1H3.
What are the key properties of 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole?
6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole has a molecular weight of 398.49 g/mol, XLogP of 6.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole is sourced from PubChem (CID 141039319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).