tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate

C31H34F2N6O5 — CID 162384103

About tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate

tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate (PubChem CID 162384103) has the molecular formula C31H34F2N6O5 and a molecular weight of 608.65 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate
• PubChem CID: 162384103
• Molecular Formula: C31H34F2N6O5
• Molecular Weight: 608.65 g/mol
• Exact Mass: 608.26
• IUPAC Name: tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCOCC1CC(=O)N(c2ccc(Nc3nccn4c(-c5ccc(OC(F)F)cc5)cnc34)cc2)C1
• InChI: InChI=1S/C31H34F2N6O5/c1-31(2,3)44-30(41)35-13-15-42-19-20-16-26(40)39(18-20)23-8-6-22(7-9-23)37-27-28-36-17-25(38(28)14-12-34-27)21-4-10-24(11-5-21)43-29(32)33/h4-12,14,17,20,29H,13,15-16,18-19H2,1-3H3,(H,34,37)(H,35,41)
• InChIKey: ZWWSAMJDZYOWTD-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 119.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.65
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate (CID 162384103) is tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCC1CC(=O)N(c2ccc(Nc3nccn4c(-c5ccc(OC(F)F)cc5)cnc34)cc2)C1.

What is the InChIKey of tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate?

The InChIKey is ZWWSAMJDZYOWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N6O5/c1-31(2,3)44-30(41)35-13-15-42-19-20-16-26(40)39(18-20)23-8-6-22(7-9-23)37-27-28-36-17-25(38(28)14-12-34-27)21-4-10-24(11-5-21)43-29(32)33/h4-12,14,17,20,29H,13,15-16,18-19H2,1-3H3,(H,34,37)(H,35,41).

What are the key properties of tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate?

tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate has a molecular weight of 608.65 g/mol, XLogP of 5.64, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-5-oxopyrrolidin-3-yl]methoxy]ethyl]carbamate is sourced from PubChem (CID 162384103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).