5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

C25H25N5 — CID 134462553

IUPAC5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESCn1cc(-c2ccc(N3CCC(C4c5ccccc5-c5cncn54)CC3)cc2)cn1
InChIInChI=1S/C25H25N5/c1-28-16-20(14-27-28)18-6-8-21(9-7-18)29-12-10-19(11-13-29)25-23-5-3-2-4-22(23)24-15-26-17-30(24)25/h2-9,14-17,19,25H,10-13H2,1H3
InChIKeyJPWZJNATDWFEJA-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.77
Rot. Bonds3

About 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (PubChem CID 134462553) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
PubChem CID134462553
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESCn1cc(-c2ccc(N3CCC(C4c5ccccc5-c5cncn54)CC3)cc2)cn1
InChIInChI=1S/C25H25N5/c1-28-16-20(14-27-28)18-6-8-21(9-7-18)29-12-10-19(11-13-29)25-23-5-3-2-4-22(23)24-15-26-17-30(24)25/h2-9,14-17,19,25H,10-13H2,1H3
InChIKeyJPWZJNATDWFEJA-UHFFFAOYSA-N
XLogP4.77
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
CID 145172538
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
2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol
CID 122650490
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
CID 137374322
6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 122650516
(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-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide
CID 137374425
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol
CID 137412980
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
7-(1-phenylpiperidin-4-yl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene
CID 130360722

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (CID 134462553) is 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is Cn1cc(-c2ccc(N3CCC(C4c5ccccc5-c5cncn54)CC3)cc2)cn1.
What is the InChIKey of 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is JPWZJNATDWFEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-28-16-20(14-27-28)18-6-8-21(9-7-18)29-12-10-19(11-13-29)25-23-5-3-2-4-22(23)24-15-26-17-30(24)25/h2-9,14-17,19,25H,10-13H2,1H3.
What are the key properties of 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 395.51 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 134462553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).