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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Related Compounds

1-Ethyl-3-imidazol-1-ylmethyl-1H-indole
CID 10331244
Ido/tdo-IN-1
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3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrolo[3,4-b]pyrrol-2-ylmethyl)-5-imidazol-1-yl-1H-indole
CID 10476740
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(pyrimidin-5-yl)-1H-indole
CID 52942395
1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1Hbenzoimidazole
CID 10064294
1-Ethyl-3-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]-1H-indole
CID 10087312
9-Ethyl-3-(1H-imidazo[4,5-c]pyridin-2-yl)-9H-carbazole
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3-[N-(2-cyanobenzyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10251520
8,9-dimethyl-5-[4-(2-methylimidazo[4,5-c]pyrid-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]-benzodiazepine
CID 10341961
2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine
CID 10479472
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-imidazol-2-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 10896220

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).