2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C28H28F2N6O4 — CID 118336447

About 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 118336447) has the molecular formula C28H28F2N6O4 and a molecular weight of 550.57 g/mol. Its IUPAC name is 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
• PubChem CID: 118336447
• Molecular Formula: C28H28F2N6O4
• Molecular Weight: 550.57 g/mol
• Exact Mass: 550.21
• IUPAC Name: 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1nc2c(c(C(=O)NCC(C)(C)O)n1)C(C)(C)C(=O)N2
• InChI: InChI=1S/C28H28F2N6O4/c1-14-21(36-11-7-10-18(24(36)32-14)40-12-15-16(29)8-6-9-17(15)30)23-33-20(25(37)31-13-27(2,3)39)19-22(34-23)35-26(38)28(19,4)5/h6-11,39H,12-13H2,1-5H3,(H,31,37)(H,33,34,35,38)
• InChIKey: OUQXIFSZAASYGN-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 130.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.57
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The IUPAC name of 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 118336447) is 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

What is the SMILES notation for 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The canonical SMILES for 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1nc2c(c(C(=O)NCC(C)(C)O)n1)C(C)(C)C(=O)N2.

What is the InChIKey of 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The InChIKey is OUQXIFSZAASYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O4/c1-14-21(36-11-7-10-18(24(36)32-14)40-12-15-16(29)8-6-9-17(15)30)23-33-20(25(37)31-13-27(2,3)39)19-22(34-23)35-26(38)28(19,4)5/h6-11,39H,12-13H2,1-5H3,(H,31,37)(H,33,34,35,38).

What are the key properties of 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 550.57 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxy-2-methylpropyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 118336447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).