2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol

C23H19F3N2O2 — CID 10024646

IUPAC2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCOc1ccc(-c2cc(-c3cnc4c(F)c(C(C)(C)O)ccn34)ccc2F)c(F)c1
InChIInChI=1S/C23H19F3N2O2/c1-23(2,29)17-8-9-28-20(12-27-22(28)21(17)26)13-4-7-18(24)16(10-13)15-6-5-14(30-3)11-19(15)25/h4-12,29H,1-3H3
InChIKeyIZXQBWJEQMIOQU-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.32
Rot. Bonds4

About 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol

2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol (PubChem CID 10024646) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol
PubChem CID10024646
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCOc1ccc(-c2cc(-c3cnc4c(F)c(C(C)(C)O)ccn34)ccc2F)c(F)c1
InChIInChI=1S/C23H19F3N2O2/c1-23(2,29)17-8-9-28-20(12-27-22(28)21(17)26)13-4-7-18(24)16(10-13)15-6-5-14(30-3)11-19(15)25/h4-12,29H,1-3H3
InChIKeyIZXQBWJEQMIOQU-UHFFFAOYSA-N
XLogP5.32
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The IUPAC name of 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol (CID 10024646) is 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol.
What is the SMILES notation for 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The canonical SMILES for 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol is COc1ccc(-c2cc(-c3cnc4c(F)c(C(C)(C)O)ccn34)ccc2F)c(F)c1.
What is the InChIKey of 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The InChIKey is IZXQBWJEQMIOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-23(2,29)17-8-9-28-20(12-27-22(28)21(17)26)13-4-7-18(24)16(10-13)15-6-5-14(30-3)11-19(15)25/h4-12,29H,1-3H3.
What are the key properties of 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol has a molecular weight of 412.41 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-fluoro-3-[4-fluoro-3-(2-fluoro-4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol is sourced from PubChem (CID 10024646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).