tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate

C28H32FN7O4 — CID 167500324

About tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 167500324) has the molecular formula C28H32FN7O4 and a molecular weight of 549.61 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate
• PubChem CID: 167500324
• Molecular Formula: C28H32FN7O4
• Molecular Weight: 549.61 g/mol
• Exact Mass: 549.25
• IUPAC Name: tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate
• SMILES: COc1cnc2c(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
• InChI: InChI=1S/C28H32FN7O4/c1-16-13-36-14-17(11-20(29)25(36)31-16)32-26(37)19-7-8-21(24-23(19)33-22(39-6)12-30-24)35-10-9-18(15-35)34(5)27(38)40-28(2,3)4/h7-8,11-14,18H,9-10,15H2,1-6H3,(H,32,37)/t18-/m1/s1
• InChIKey: NPIZVADVCMFZBN-GOSISDBHSA-N
• XLogP: 4.43
• TPSA: 114.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.61
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate (CID 167500324) is tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate is COc1cnc2c(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.

What is the InChIKey of tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate?

The InChIKey is NPIZVADVCMFZBN-GOSISDBHSA-N. The full InChI is InChI=1S/C28H32FN7O4/c1-16-13-36-14-17(11-20(29)25(36)31-16)32-26(37)19-7-8-21(24-23(19)33-22(39-6)12-30-24)35-10-9-18(15-35)34(5)27(38)40-28(2,3)4/h7-8,11-14,18H,9-10,15H2,1-6H3,(H,32,37)/t18-/m1/s1.

What are the key properties of tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate?

tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 549.61 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 167500324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).