5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole

C24H19ClN4OS — CID 140967832

IUPAC5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole
SMILESClc1ccc(Cn2c(COc3ccc(Cc4cncs4)cc3)nc3cccnc32)cc1
InChIInChI=1S/C24H19ClN4OS/c25-19-7-3-18(4-8-19)14-29-23(28-22-2-1-11-27-24(22)29)15-30-20-9-5-17(6-10-20)12-21-13-26-16-31-21/h1-11,13,16H,12,14-15H2
InChIKeyFJHIVTPHLGBDEP-UHFFFAOYSA-N
MW446.96 g/mol
LogP5.76
Rot. Bonds7

About 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole

5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole (PubChem CID 140967832) has the molecular formula C24H19ClN4OS and a molecular weight of 446.96 g/mol. Its IUPAC name is 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole
PubChem CID140967832
Molecular FormulaC24H19ClN4OS
Molecular Weight446.96 g/mol
Exact Mass446.10
IUPAC Name5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole
SMILESClc1ccc(Cn2c(COc3ccc(Cc4cncs4)cc3)nc3cccnc32)cc1
InChIInChI=1S/C24H19ClN4OS/c25-19-7-3-18(4-8-19)14-29-23(28-22-2-1-11-27-24(22)29)15-30-20-9-5-17(6-10-20)12-21-13-26-16-31-21/h1-11,13,16H,12,14-15H2
InChIKeyFJHIVTPHLGBDEP-UHFFFAOYSA-N
XLogP5.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole (CID 140967832) is 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole is Clc1ccc(Cn2c(COc3ccc(Cc4cncs4)cc3)nc3cccnc32)cc1.
What is the InChIKey of 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole?
The InChIKey is FJHIVTPHLGBDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4OS/c25-19-7-3-18(4-8-19)14-29-23(28-22-2-1-11-27-24(22)29)15-30-20-9-5-17(6-10-20)12-21-13-26-16-31-21/h1-11,13,16H,12,14-15H2.
What are the key properties of 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole?
5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole has a molecular weight of 446.96 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 140967832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).