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

C29H31FN6 — CID 122650516

IUPAC6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(C1CCN(c3ccc(-c4cnn(C5CCNCC5)c4)cc3)CC1)n1cncc1-2
InChIInChI=1S/C29H31FN6/c30-26-3-1-2-25-27-17-32-19-35(27)29(28(25)26)21-10-14-34(15-11-21)23-6-4-20(5-7-23)22-16-33-36(18-22)24-8-12-31-13-9-24/h1-7,16-19,21,24,29,31H,8-15H2
InChIKeyVBMANTMWXAADQP-UHFFFAOYSA-N
MW482.61 g/mol
LogP5.30
Rot. Bonds4

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

6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (PubChem CID 122650516) has the molecular formula C29H31FN6 and a molecular weight of 482.61 g/mol. Its IUPAC name is 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
PubChem CID122650516
Molecular FormulaC29H31FN6
Molecular Weight482.61 g/mol
Exact Mass482.26
IUPAC Name6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(C1CCN(c3ccc(-c4cnn(C5CCNCC5)c4)cc3)CC1)n1cncc1-2
InChIInChI=1S/C29H31FN6/c30-26-3-1-2-25-27-17-32-19-35(27)29(28(25)26)21-10-14-34(15-11-21)23-6-4-20(5-7-23)22-16-33-36(18-22)24-8-12-31-13-9-24/h1-7,16-19,21,24,29,31H,8-15H2
InChIKeyVBMANTMWXAADQP-UHFFFAOYSA-N
XLogP5.30
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (CID 122650516) is 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is Fc1cccc2c1C(C1CCN(c3ccc(-c4cnn(C5CCNCC5)c4)cc3)CC1)n1cncc1-2.
What is the InChIKey of 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is VBMANTMWXAADQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6/c30-26-3-1-2-25-27-17-32-19-35(27)29(28(25)26)21-10-14-34(15-11-21)23-6-4-20(5-7-23)22-16-33-36(18-22)24-8-12-31-13-9-24/h1-7,16-19,21,24,29,31H,8-15H2.
What are the key properties of 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 482.61 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 122650516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).