tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate

C30H36FN7O4 — CID 175586868

About tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate

tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 175586868) has the molecular formula C30H36FN7O4 and a molecular weight of 577.66 g/mol. Its IUPAC name is tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
• PubChem CID: 175586868
• Molecular Formula: C30H36FN7O4
• Molecular Weight: 577.66 g/mol
• Exact Mass: 577.28
• IUPAC Name: tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
• SMILES: COc1nc2c(N3CC(C)N(C(=O)OC(C)(C)C)[C@@H](C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2nc1C
• InChI: InChI=1S/C30H36FN7O4/c1-16-12-37-15-20(11-22(31)26(37)32-16)34-27(39)21-9-10-23(25-24(21)33-19(4)28(35-25)41-8)36-13-17(2)38(18(3)14-36)29(40)42-30(5,6)7/h9-12,15,17-18H,13-14H2,1-8H3,(H,34,39)/t17-,18?/m0/s1
• InChIKey: WGNHQPSKAVRTOU-ZENAZSQFSA-N
• XLogP: 5.13
• TPSA: 114.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.66
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?

The IUPAC name of tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate (CID 175586868) is tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?

The canonical SMILES for tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate is COc1nc2c(N3CC(C)N(C(=O)OC(C)(C)C)[C@@H](C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2nc1C.

What is the InChIKey of tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?

The InChIKey is WGNHQPSKAVRTOU-ZENAZSQFSA-N. The full InChI is InChI=1S/C30H36FN7O4/c1-16-12-37-15-20(11-22(31)26(37)32-16)34-27(39)21-9-10-23(25-24(21)33-19(4)28(35-25)41-8)36-13-17(2)38(18(3)14-36)29(40)42-30(5,6)7/h9-12,15,17-18H,13-14H2,1-8H3,(H,34,39)/t17-,18?/m0/s1.

What are the key properties of tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate?

tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 577.66 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 175586868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).