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

C23H17F5N2O2 — CID 10388952

IUPAC2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccc(OC(F)(F)F)c4)c3)cnc2c1F
InChIInChI=1S/C23H17F5N2O2/c1-22(2,31)17-8-9-30-19(12-29-21(30)20(17)25)14-6-7-18(24)16(11-14)13-4-3-5-15(10-13)32-23(26,27)28/h3-12,31H,1-2H3
InChIKeyNQHUAIOJDNBIEQ-UHFFFAOYSA-N
MW448.39 g/mol
LogP6.07
Rot. Bonds4

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

2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol (PubChem CID 10388952) has the molecular formula C23H17F5N2O2 and a molecular weight of 448.39 g/mol. Its IUPAC name is 2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol
PubChem CID10388952
Molecular FormulaC23H17F5N2O2
Molecular Weight448.39 g/mol
Exact Mass448.12
IUPAC Name2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccc(OC(F)(F)F)c4)c3)cnc2c1F
InChIInChI=1S/C23H17F5N2O2/c1-22(2,31)17-8-9-30-19(12-29-21(30)20(17)25)14-6-7-18(24)16(11-14)13-4-3-5-15(10-13)32-23(26,27)28/h3-12,31H,1-2H3
InChIKeyNQHUAIOJDNBIEQ-UHFFFAOYSA-N
XLogP6.07
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.39
LogP ≤ 56.07
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-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The IUPAC name of 2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol (CID 10388952) is 2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol.
What is the SMILES notation for 2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The canonical SMILES for 2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol is CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccc(OC(F)(F)F)c4)c3)cnc2c1F.
What is the InChIKey of 2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The InChIKey is NQHUAIOJDNBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N2O2/c1-22(2,31)17-8-9-30-19(12-29-21(30)20(17)25)14-6-7-18(24)16(11-14)13-4-3-5-15(10-13)32-23(26,27)28/h3-12,31H,1-2H3.
What are the key properties of 2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
2-[8-fluoro-3-[4-fluoro-3-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol has a molecular weight of 448.39 g/mol, XLogP of 6.07, 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-[3-(trifluoromethoxy)phenyl]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol is sourced from PubChem (CID 10388952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).