tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate

C30H35FN6O4 — CID 175586818

About tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate

tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 175586818) has the molecular formula C30H35FN6O4 and a molecular weight of 562.65 g/mol. Its IUPAC name is tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
• PubChem CID: 175586818
• Molecular Formula: C30H35FN6O4
• Molecular Weight: 562.65 g/mol
• Exact Mass: 562.27
• IUPAC Name: tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
• SMILES: COc1ccc2c(N3CC(C)N(C(=O)OC(C)(C)C)C(C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
• InChI: InChI=1S/C30H35FN6O4/c1-17-13-36-16-20(12-23(31)27(36)32-17)33-28(38)22-8-10-24(21-9-11-25(40-7)34-26(21)22)35-14-18(2)37(19(3)15-35)29(39)41-30(4,5)6/h8-13,16,18-19H,14-15H2,1-7H3,(H,33,38)
• InChIKey: RJISZHCWISWKIG-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 101.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.65
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate (CID 175586818) is tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate is COc1ccc2c(N3CC(C)N(C(=O)OC(C)(C)C)C(C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.

What is the InChIKey of tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?

The InChIKey is RJISZHCWISWKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O4/c1-17-13-36-16-20(12-23(31)27(36)32-17)33-28(38)22-8-10-24(21-9-11-25(40-7)34-26(21)22)35-14-18(2)37(19(3)15-35)29(39)41-30(4,5)6/h8-13,16,18-19H,14-15H2,1-7H3,(H,33,38).

What are the key properties of tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?

tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 562.65 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 175586818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).