2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol

C22H16F4N2O — CID 11741690

IUPAC2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)c(F)c4)c3)cnc2c1F
InChIInChI=1S/C22H16F4N2O/c1-22(2,29)15-7-8-28-19(11-27-21(28)20(15)26)13-4-5-16(23)14(9-13)12-3-6-17(24)18(25)10-12/h3-11,29H,1-2H3
InChIKeyPPUAIXHQCQGDNR-UHFFFAOYSA-N
MW400.38 g/mol
LogP5.45
Rot. Bonds3

About 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol

2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol (PubChem CID 11741690) has the molecular formula C22H16F4N2O and a molecular weight of 400.38 g/mol. Its IUPAC name is 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
PubChem CID11741690
Molecular FormulaC22H16F4N2O
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC Name2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)c(F)c4)c3)cnc2c1F
InChIInChI=1S/C22H16F4N2O/c1-22(2,29)15-7-8-28-19(11-27-21(28)20(15)26)13-4-5-16(23)14(9-13)12-3-6-17(24)18(25)10-12/h3-11,29H,1-2H3
InChIKeyPPUAIXHQCQGDNR-UHFFFAOYSA-N
XLogP5.45
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.38
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44538590
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CID 9906309
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CID 9969492
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CID 10000391
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CID 10221973
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CID 10269219
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The IUPAC name of 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol (CID 11741690) is 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The canonical SMILES for 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol is CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)c(F)c4)c3)cnc2c1F.
What is the InChIKey of 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The InChIKey is PPUAIXHQCQGDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N2O/c1-22(2,29)15-7-8-28-19(11-27-21(28)20(15)26)13-4-5-16(23)14(9-13)12-3-6-17(24)18(25)10-12/h3-11,29H,1-2H3.
What are the key properties of 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol has a molecular weight of 400.38 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol is sourced from PubChem (CID 11741690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).