tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate

C23H28FN7O3 — CID 168758640

About tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate

tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate (PubChem CID 168758640) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate
• PubChem CID: 168758640
• Molecular Formula: C23H28FN7O3
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.22
• IUPAC Name: tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate
• SMILES: Cc1cn2cc(NC(=O)c3cnc(N4C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C4)cn3)cc(F)c2n1
• InChI: InChI=1S/C23H28FN7O3/c1-13-9-30(12-18(13)29-22(33)34-23(3,4)5)19-8-25-17(7-26-19)21(32)28-15-6-16(24)20-27-14(2)10-31(20)11-15/h6-8,10-11,13,18H,9,12H2,1-5H3,(H,28,32)(H,29,33)/t13-,18-/m1/s1
• InChIKey: ZMKVMVHSVSSZKE-FZKQIMNGSA-N
• XLogP: 3.17
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate (CID 168758640) is tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate is Cc1cn2cc(NC(=O)c3cnc(N4C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C4)cn3)cc(F)c2n1.

What is the InChIKey of tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate?

The InChIKey is ZMKVMVHSVSSZKE-FZKQIMNGSA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-13-9-30(12-18(13)29-22(33)34-23(3,4)5)19-8-25-17(7-26-19)21(32)28-15-6-16(24)20-27-14(2)10-31(20)11-15/h6-8,10-11,13,18H,9,12H2,1-5H3,(H,28,32)(H,29,33)/t13-,18-/m1/s1.

What are the key properties of tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate?

tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate has a molecular weight of 469.52 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 168758640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).