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

C24H23FN4 — CID 122650477

IUPAC6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESCn1ccc2c(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)cccc21
InChIInChI=1S/C24H23FN4/c1-27-11-10-17-20(27)6-3-7-21(17)28-12-8-16(9-13-28)24-23-18(4-2-5-19(23)25)22-14-26-15-29(22)24/h2-7,10-11,14-16,24H,8-9,12-13H2,1H3
InChIKeyNTIQHXFAYLFMIQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.00
Rot. Bonds2

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

6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (PubChem CID 122650477) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
PubChem CID122650477
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESCn1ccc2c(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)cccc21
InChIInChI=1S/C24H23FN4/c1-27-11-10-17-20(27)6-3-7-21(17)28-12-8-16(9-13-28)24-23-18(4-2-5-19(23)25)22-14-26-15-29(22)24/h2-7,10-11,14-16,24H,8-9,12-13H2,1H3
InChIKeyNTIQHXFAYLFMIQ-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

4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide
CID 145172553
2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile
CID 122650593
2-[4-[4-[4-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanamine
CID 134462576
4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide
CID 122650502
methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate
CID 134291911
6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 122650516
6-fluoro-5-[1-(3-fluorocyclohexa-1,3-dien-1-yl)piperidin-3-yl]-5H-imidazo[5,1-a]isoindole
CID 163446592
6-fluoro-5-[1-[(3Z,5E)-4-fluoro-6-(1-methylpyrazol-4-yl)hepta-1,3,5-trien-3-yl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 134291828
(2S)-3-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]propane-1,2-diol
CID 122650517
4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 134279104
6-fluoro-5-[1-[4-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 122650493
ethane;5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
CID 145172538

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (CID 122650477) is 6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is Cn1ccc2c(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)cccc21.
What is the InChIKey of 6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is NTIQHXFAYLFMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-27-11-10-17-20(27)6-3-7-21(17)28-12-8-16(9-13-28)24-23-18(4-2-5-19(23)25)22-14-26-15-29(22)24/h2-7,10-11,14-16,24H,8-9,12-13H2,1H3.
What are the key properties of 6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
6-fluoro-5-[1-(1-methylindol-4-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-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 122650477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).