3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine

C28H22F2N6O — CID 20955883

IUPAC3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
SMILESFc1ccc(Cn2c(COCc3nc4cccnc4n3Cc3ccc(F)cc3)nc3cccnc32)cc1
InChIInChI=1S/C28H22F2N6O/c29-21-9-5-19(6-10-21)15-35-25(33-23-3-1-13-31-27(23)35)17-37-18-26-34-24-4-2-14-32-28(24)36(26)16-20-7-11-22(30)12-8-20/h1-14H,15-18H2
InChIKeyQTPGYRCOHPSSHZ-UHFFFAOYSA-N
MW496.52 g/mol
LogP5.27
Rot. Bonds8

About 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine

3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine (PubChem CID 20955883) has the molecular formula C28H22F2N6O and a molecular weight of 496.52 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
PubChem CID20955883
Molecular FormulaC28H22F2N6O
Molecular Weight496.52 g/mol
Exact Mass496.18
IUPAC Name3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
SMILESFc1ccc(Cn2c(COCc3nc4cccnc4n3Cc3ccc(F)cc3)nc3cccnc32)cc1
InChIInChI=1S/C28H22F2N6O/c29-21-9-5-19(6-10-21)15-35-25(33-23-3-1-13-31-27(23)35)17-37-18-26-34-24-4-2-14-32-28(24)36(26)16-20-7-11-22(30)12-8-20/h1-14H,15-18H2
InChIKeyQTPGYRCOHPSSHZ-UHFFFAOYSA-N
XLogP5.27
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine (CID 20955883) is 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine is Fc1ccc(Cn2c(COCc3nc4cccnc4n3Cc3ccc(F)cc3)nc3cccnc32)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine?
The InChIKey is QTPGYRCOHPSSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N6O/c29-21-9-5-19(6-10-21)15-35-25(33-23-3-1-13-31-27(23)35)17-37-18-26-34-24-4-2-14-32-28(24)36(26)16-20-7-11-22(30)12-8-20/h1-14H,15-18H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine?
3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine has a molecular weight of 496.52 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-2-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 20955883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).