N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine

C25H24FN3O4 — CID 58402590

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc2nc(-c3c(C)cc(OCF)cc3C)c(Nc3ccc4c(c3)OCCO4)n12
InChIInChI=1S/C25H24FN3O4/c1-15-11-18(33-14-26)12-16(2)23(15)24-25(29-21(28-24)5-4-6-22(29)30-3)27-17-7-8-19-20(13-17)32-10-9-31-19/h4-8,11-13,27H,9-10,14H2,1-3H3
InChIKeyMXQJZRKIKRWFJW-UHFFFAOYSA-N
MW449.48 g/mol
LogP5.45
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine (PubChem CID 58402590) has the molecular formula C25H24FN3O4 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine
PubChem CID58402590
Molecular FormulaC25H24FN3O4
Molecular Weight449.48 g/mol
Exact Mass449.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc2nc(-c3c(C)cc(OCF)cc3C)c(Nc3ccc4c(c3)OCCO4)n12
InChIInChI=1S/C25H24FN3O4/c1-15-11-18(33-14-26)12-16(2)23(15)24-25(29-21(28-24)5-4-6-22(29)30-3)27-17-7-8-19-20(13-17)32-10-9-31-19/h4-8,11-13,27H,9-10,14H2,1-3H3
InChIKeyMXQJZRKIKRWFJW-UHFFFAOYSA-N
XLogP5.45
TPSA66.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine (CID 58402590) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine is COc1cccc2nc(-c3c(C)cc(OCF)cc3C)c(Nc3ccc4c(c3)OCCO4)n12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine?
The InChIKey is MXQJZRKIKRWFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4/c1-15-11-18(33-14-26)12-16(2)23(15)24-25(29-21(28-24)5-4-6-22(29)30-3)27-17-7-8-19-20(13-17)32-10-9-31-19/h4-8,11-13,27H,9-10,14H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine has a molecular weight of 449.48 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 58402590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).