4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one

C24H23F3N6O — CID 155576719

About 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one

4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one (PubChem CID 155576719) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one
• PubChem CID: 155576719
• Molecular Formula: C24H23F3N6O
• Molecular Weight: 468.48 g/mol
• Exact Mass: 468.19
• IUPAC Name: 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one
• SMILES: C/N=C(\C)C1=C(N)C(=O)N(c2ccn3ccnc3c2)C1c1ccc(N2CCC(F)(F)C2)cc1F
• InChI: InChI=1S/C24H23F3N6O/c1-14(29-2)20-21(28)23(34)33(16-5-8-31-10-7-30-19(31)12-16)22(20)17-4-3-15(11-18(17)25)32-9-6-24(26,27)13-32/h3-5,7-8,10-12,22H,6,9,13,28H2,1-2H3/b29-14+
• InChIKey: VMMFHBREZYPNMV-IPPBACCNSA-N
• XLogP: 3.71
• TPSA: 79.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.48
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one?

The IUPAC name of 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one (CID 155576719) is 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one.

What is the SMILES notation for 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one?

The canonical SMILES for 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one is C/N=C(\C)C1=C(N)C(=O)N(c2ccn3ccnc3c2)C1c1ccc(N2CCC(F)(F)C2)cc1F.

What is the InChIKey of 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one?

The InChIKey is VMMFHBREZYPNMV-IPPBACCNSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-14(29-2)20-21(28)23(34)33(16-5-8-31-10-7-30-19(31)12-16)22(20)17-4-3-15(11-18(17)25)32-9-6-24(26,27)13-32/h3-5,7-8,10-12,22H,6,9,13,28H2,1-2H3/b29-14+.

What are the key properties of 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one?

4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one has a molecular weight of 468.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(C,N-dimethylcarbonimidoyl)-1-imidazo[1,2-a]pyridin-7-yl-2H-pyrrol-5-one is sourced from PubChem (CID 155576719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).