6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine

C41H39N5O — CID 155633412

About 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine

6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine (PubChem CID 155633412) has the molecular formula C41H39N5O and a molecular weight of 617.80 g/mol. Its IUPAC name is 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine
• PubChem CID: 155633412
• Molecular Formula: C41H39N5O
• Molecular Weight: 617.80 g/mol
• Exact Mass: 617.32
• IUPAC Name: 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine
• SMILES: Cc1nc2c(C3(c4cccc(N5C=CN(C)C5)c4)c4ccccc4-c4ccccc43)cc(Oc3cc(C(C)(C)C)ccn3)cn2c1C
• InChI: InChI=1S/C41H39N5O/c1-27-28(2)46-25-32(47-38-23-29(18-19-42-38)40(3,4)5)24-37(39(46)43-27)41(30-12-11-13-31(22-30)45-21-20-44(6)26-45)35-16-9-7-14-33(35)34-15-8-10-17-36(34)41/h7-25H,26H2,1-6H3
• InChIKey: CKZYYDCKEUZGEY-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 45.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.80
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine?

The IUPAC name of 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine (CID 155633412) is 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine?

The canonical SMILES for 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine is Cc1nc2c(C3(c4cccc(N5C=CN(C)C5)c4)c4ccccc4-c4ccccc43)cc(Oc3cc(C(C)(C)C)ccn3)cn2c1C.

What is the InChIKey of 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine?

The InChIKey is CKZYYDCKEUZGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N5O/c1-27-28(2)46-25-32(47-38-23-29(18-19-42-38)40(3,4)5)24-37(39(46)43-27)41(30-12-11-13-31(22-30)45-21-20-44(6)26-45)35-16-9-7-14-33(35)34-15-8-10-17-36(34)41/h7-25H,26H2,1-6H3.

What are the key properties of 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine?

6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine has a molecular weight of 617.80 g/mol, XLogP of 8.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155633412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).