2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine

C27H18F2N4 — CID 132518641

IUPAC2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
SMILESFc1ccccc1-c1nc2ccccn2c1Cc1c(-c2ccccc2F)nc2ccccn12
InChIInChI=1S/C27H18F2N4/c28-20-11-3-1-9-18(20)26-22(32-15-7-5-13-24(32)30-26)17-23-27(19-10-2-4-12-21(19)29)31-25-14-6-8-16-33(23)25/h1-16H,17H2
InChIKeySPMFLDQRGHILOG-UHFFFAOYSA-N
MW436.47 g/mol
LogP6.18
Rot. Bonds4

About 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine

2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 132518641) has the molecular formula C27H18F2N4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID132518641
Molecular FormulaC27H18F2N4
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
SMILESFc1ccccc1-c1nc2ccccn2c1Cc1c(-c2ccccc2F)nc2ccccn12
InChIInChI=1S/C27H18F2N4/c28-20-11-3-1-9-18(20)26-22(32-15-7-5-13-24(32)30-26)17-23-27(19-10-2-4-12-21(19)29)31-25-14-6-8-16-33(23)25/h1-16H,17H2
InChIKeySPMFLDQRGHILOG-UHFFFAOYSA-N
XLogP6.18
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine (CID 132518641) is 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine is Fc1ccccc1-c1nc2ccccn2c1Cc1c(-c2ccccc2F)nc2ccccn12.
What is the InChIKey of 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is SPMFLDQRGHILOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N4/c28-20-11-3-1-9-18(20)26-22(32-15-7-5-13-24(32)30-26)17-23-27(19-10-2-4-12-21(19)29)31-25-14-6-8-16-33(23)25/h1-16H,17H2.
What are the key properties of 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine?
2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 436.47 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 132518641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).