6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

C24H23FN4 — CID 155558731

IUPAC6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESCn1ccc2ccc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)cc21
InChIInChI=1S/C24H23FN4/c1-27-10-7-16-5-6-18(13-21(16)27)28-11-8-17(9-12-28)24-23-19(3-2-4-20(23)25)22-14-26-15-29(22)24/h2-7,10,13-15,17,24H,8-9,11-12H2,1H3
InChIKeyNTZXSJFDPVHDNV-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.00
Rot. Bonds2

About 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (PubChem CID 155558731) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
PubChem CID155558731
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESCn1ccc2ccc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)cc21
InChIInChI=1S/C24H23FN4/c1-27-10-7-16-5-6-18(13-21(16)27)28-11-8-17(9-12-28)24-23-19(3-2-4-20(23)25)22-14-26-15-29(22)24/h2-7,10,13-15,17,24H,8-9,11-12H2,1H3
InChIKeyNTZXSJFDPVHDNV-UHFFFAOYSA-N
XLogP5.00
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (CID 155558731) is 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is Cn1ccc2ccc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)cc21.
What is the InChIKey of 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is NTZXSJFDPVHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-27-10-7-16-5-6-18(13-21(16)27)28-11-8-17(9-12-28)24-23-19(3-2-4-20(23)25)22-14-26-15-29(22)24/h2-7,10,13-15,17,24H,8-9,11-12H2,1H3.
What are the key properties of 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 386.47 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[1-(1-methylindol-6-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 155558731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).