4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one

C70H79F10N9O6 — CID 157398932

IUPAC4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CC(F)F)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CCCF)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CCF)n2c1
InChIInChI=1S/C24H28F3N3O2.C23H25F4N3O2.C23H26F3N3O2/c1-15-12-21(32-14-17-18(26)6-4-7-19(17)27)23-29-16(2)22(30(23)13-15)20(31)8-10-24(3,28)9-5-11-25;1-13-9-19(32-12-15-16(24)5-4-6-17(15)25)22-29-14(2)21(30(22)11-13)18(31)7-8-23(3,28)10-20(26)27;1-14-11-20(31-13-16-17(25)5-4-6-18(16)26)22-28-15(2)21(29(22)12-14)19(30)7-8-23(3,27)9-10-24/h4,6-7,12-13H,5,8-11,14,28H2,1-3H3;4-6,9,11,20H,7-8,10,12,28H2,1-3H3;4-6,11-12H,7-10,13,27H2,1-3H3
InChIKeyBMXINFAAIJPZKJ-UHFFFAOYSA-N
MW1332.44 g/mol
LogP15.23
Rot. Bonds28

About 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one

4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one (PubChem CID 157398932) has the molecular formula C70H79F10N9O6 and a molecular weight of 1332.44 g/mol. Its IUPAC name is 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one.

Molecular Properties

Compound Name4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one
PubChem CID157398932
Molecular FormulaC70H79F10N9O6
Molecular Weight1332.44 g/mol
Exact Mass1331.60
IUPAC Name4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CC(F)F)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CCCF)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CCF)n2c1
InChIInChI=1S/C24H28F3N3O2.C23H25F4N3O2.C23H26F3N3O2/c1-15-12-21(32-14-17-18(26)6-4-7-19(17)27)23-29-16(2)22(30(23)13-15)20(31)8-10-24(3,28)9-5-11-25;1-13-9-19(32-12-15-16(24)5-4-6-17(15)25)22-29-14(2)21(30(22)11-13)18(31)7-8-23(3,28)10-20(26)27;1-14-11-20(31-13-16-17(25)5-4-6-18(16)26)22-28-15(2)21(29(22)12-14)19(30)7-8-23(3,27)9-10-24/h4,6-7,12-13H,5,8-11,14,28H2,1-3H3;4-6,9,11,20H,7-8,10,12,28H2,1-3H3;4-6,11-12H,7-10,13,27H2,1-3H3
InChIKeyBMXINFAAIJPZKJ-UHFFFAOYSA-N
XLogP15.23
TPSA208.86 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.44
LogP ≤ 515.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one with MolForge

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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]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one?
The IUPAC name of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one (CID 157398932) is 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-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]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one?
The canonical SMILES for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CC(F)F)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CCCF)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(C)(N)CCF)n2c1.
What is the InChIKey of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one?
The InChIKey is BMXINFAAIJPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2.C23H25F4N3O2.C23H26F3N3O2/c1-15-12-21(32-14-17-18(26)6-4-7-19(17)27)23-29-16(2)22(30(23)13-15)20(31)8-10-24(3,28)9-5-11-25;1-13-9-19(32-12-15-16(24)5-4-6-17(15)25)22-29-14(2)21(30(22)11-13)18(31)7-8-23(3,28)10-20(26)27;1-14-11-20(31-13-16-17(25)5-4-6-18(16)26)22-28-15(2)21(29(22)12-14)19(30)7-8-23(3,27)9-10-24/h4,6-7,12-13H,5,8-11,14,28H2,1-3H3;4-6,9,11,20H,7-8,10,12,28H2,1-3H3;4-6,11-12H,7-10,13,27H2,1-3H3.
What are the key properties of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one?
4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one has a molecular weight of 1332.44 g/mol, XLogP of 15.23, 28 rotatable bonds, 3 hydrogen bond donors, and 15 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]-6,6-difluoro-4-methylhexan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7-fluoro-4-methylheptan-1-one;4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6-fluoro-4-methylhexan-1-one is sourced from PubChem (CID 157398932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).