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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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).