8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine

C51H49N5 — CID 155633432

About 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine

8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine (PubChem CID 155633432) has the molecular formula C51H49N5 and a molecular weight of 731.99 g/mol. Its IUPAC name is 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine
• PubChem CID: 155633432
• Molecular Formula: C51H49N5
• Molecular Weight: 731.99 g/mol
• Exact Mass: 731.40
• IUPAC Name: 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine
• SMILES: Cc1nn(-c2cccc(C3(c4cc(C(C)(C)c5cc(C(C)(C)C)ccn5)c5nc(C)c(C)n5c4)c4ccccc4-c4ccccc43)c2)c(C)c1-c1ccccc1
• InChI: InChI=1S/C51H49N5/c1-32-34(3)55-31-39(29-45(48(55)53-32)50(8,9)46-30-37(26-27-52-46)49(5,6)7)51(43-24-15-13-22-41(43)42-23-14-16-25-44(42)51)38-20-17-21-40(28-38)56-35(4)47(33(2)54-56)36-18-11-10-12-19-36/h10-31H,1-9H3
• InChIKey: WVUHFAVYENFVCD-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.99
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine?

The IUPAC name of 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine (CID 155633432) is 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine.

What is the SMILES notation for 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine?

The canonical SMILES for 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine is Cc1nn(-c2cccc(C3(c4cc(C(C)(C)c5cc(C(C)(C)C)ccn5)c5nc(C)c(C)n5c4)c4ccccc4-c4ccccc43)c2)c(C)c1-c1ccccc1.

What is the InChIKey of 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine?

The InChIKey is WVUHFAVYENFVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49N5/c1-32-34(3)55-31-39(29-45(48(55)53-32)50(8,9)46-30-37(26-27-52-46)49(5,6)7)51(43-24-15-13-22-41(43)42-23-14-16-25-44(42)51)38-20-17-21-40(28-38)56-35(4)47(33(2)54-56)36-18-11-10-12-19-36/h10-31H,1-9H3.

What are the key properties of 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine?

8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine has a molecular weight of 731.99 g/mol, XLogP of 11.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 155633432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).