4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one

C48H51F11N6O4 — CID 158401565

About 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one

4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one (PubChem CID 158401565) has the molecular formula C48H51F11N6O4 and a molecular weight of 984.95 g/mol. Its IUPAC name is 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one.

Molecular Properties

• Compound Name: 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one
• PubChem CID: 158401565
• Molecular Formula: C48H51F11N6O4
• Molecular Weight: 984.95 g/mol
• Exact Mass: 984.38
• IUPAC Name: 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one
• SMILES: Cc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(C(=O)CCC(C)(N)CCC(F)(F)F)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CCC(F)(F)F)n2c1
• InChI: InChI=1S/C24H25F6N3O2.C24H26F5N3O2/c1-13-10-19(35-12-15-16(25)4-5-17(26)20(15)27)22-32-14(2)21(33(22)11-13)18(34)6-7-23(3,31)8-9-24(28,29)30;1-14-11-20(34-13-16-17(25)5-4-6-18(16)26)22-31-15(2)21(32(22)12-14)19(33)7-8-23(3,30)9-10-24(27,28)29/h4-5,10-11H,6-9,12,31H2,1-3H3;4-6,11-12H,7-10,13,30H2,1-3H3
• InChIKey: GYDXTQVUVSCQPL-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 139.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.95
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one?

The IUPAC name of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one (CID 158401565) is 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one.

What is the SMILES notation for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one?

The canonical SMILES for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one is Cc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(C(=O)CCC(C)(N)CCC(F)(F)F)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CCC(F)(F)F)n2c1.

What is the InChIKey of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one?

The InChIKey is GYDXTQVUVSCQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3O2.C24H26F5N3O2/c1-13-10-19(35-12-15-16(25)4-5-17(26)20(15)27)22-32-14(2)21(33(22)11-13)18(34)6-7-23(3,31)8-9-24(28,29)30;1-14-11-20(34-13-16-17(25)5-4-6-18(16)26)22-31-15(2)21(32(22)12-14)19(33)7-8-23(3,30)9-10-24(27,28)29/h4-5,10-11H,6-9,12,31H2,1-3H3;4-6,11-12H,7-10,13,30H2,1-3H3.

What are the key properties of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one?

4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one has a molecular weight of 984.95 g/mol, XLogP of 11.80, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one is sourced from PubChem (CID 158401565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).