N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane

C32H38F2N6O2 — CID 145221811

About N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane

N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane (PubChem CID 145221811) has the molecular formula C32H38F2N6O2 and a molecular weight of 576.69 g/mol. Its IUPAC name is N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane
• PubChem CID: 145221811
• Molecular Formula: C32H38F2N6O2
• Molecular Weight: 576.69 g/mol
• Exact Mass: 576.30
• IUPAC Name: N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane
• SMILES: CC.CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(N2CC3(C2)CN(c2ccc(OC(C)(F)F)cc2)C3)cc1
• InChI: InChI=1S/C30H32F2N6O2.C2H6/c1-4-25-26(38-15-20(2)13-34-28(38)35-25)27(39)33-14-21-5-7-22(8-6-21)36-16-30(17-36)18-37(19-30)23-9-11-24(12-10-23)40-29(3,31)32;1-2/h5-13,15H,4,14,16-19H2,1-3H3,(H,33,39);1-2H3
• InChIKey: JNCURDLFRRSICT-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.69
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane?

The IUPAC name of N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane (CID 145221811) is N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane.

What is the SMILES notation for N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane?

The canonical SMILES for N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane is CC.CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(N2CC3(C2)CN(c2ccc(OC(C)(F)F)cc2)C3)cc1.

What is the InChIKey of N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane?

The InChIKey is JNCURDLFRRSICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O2.C2H6/c1-4-25-26(38-15-20(2)13-34-28(38)35-25)27(39)33-14-21-5-7-22(8-6-21)36-16-30(17-36)18-37(19-30)23-9-11-24(12-10-23)40-29(3,31)32;1-2/h5-13,15H,4,14,16-19H2,1-3H3,(H,33,39);1-2H3.

What are the key properties of N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane?

N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane has a molecular weight of 576.69 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane is sourced from PubChem (CID 145221811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).