4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one

C40H36N4O4S — CID 54206680

IUPAC4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
SMILESCC(C)Oc1ccc2nc(COc3ccc(Cc4sc(=O)n(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4O)cc3)n(C)c2n1
InChIInChI=1S/C40H36N4O4S/c1-27(2)48-36-24-23-33-37(42-36)43(3)35(41-33)26-47-32-21-19-28(20-22-32)25-34-38(45)44(39(46)49-34)40(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-24,27,45H,25-26H2,1-3H3
InChIKeyPSZAYPFDZYHDKX-UHFFFAOYSA-N
MW668.82 g/mol
LogP7.69
Rot. Bonds11

About 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one

4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one (PubChem CID 54206680) has the molecular formula C40H36N4O4S and a molecular weight of 668.82 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
PubChem CID54206680
Molecular FormulaC40H36N4O4S
Molecular Weight668.82 g/mol
Exact Mass668.25
IUPAC Name4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
SMILESCC(C)Oc1ccc2nc(COc3ccc(Cc4sc(=O)n(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4O)cc3)n(C)c2n1
InChIInChI=1S/C40H36N4O4S/c1-27(2)48-36-24-23-33-37(42-36)43(3)35(41-33)26-47-32-21-19-28(20-22-32)25-34-38(45)44(39(46)49-34)40(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-24,27,45H,25-26H2,1-3H3
InChIKeyPSZAYPFDZYHDKX-UHFFFAOYSA-N
XLogP7.69
TPSA91.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.82
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
CID 54565152
4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 54512423
4-hydroxy-5-[[4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
CID 54517983
4-hydroxy-5-[[4-[2-[1-(6-methoxy-3-pyridinyl)ethenylamino]oxyethoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
CID 56978756
5-[[4-[2-[(6-ethoxy-3-pyridinyl)methylideneamino]oxyethoxy]phenyl]methyl]-4-hydroxy-3-trityl-1,3-thiazol-2-one
CID 54444168
4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 54051700
5-[[4-[(1-methylimidazo[4,5-c]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazolidine-2,4-dione
CID 23298339
5-[[4-[(9-methylpurin-8-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazolidine-2,4-dione
CID 23298366
4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one
CID 123378774
3-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-sulfanylpropanamide
CID 141073954
1-benzyl-3-[7-[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxynaphthalen-1-yl]thiourea
CID 91220832
5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazolidine-2,4-dione
CID 10699153

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one (CID 54206680) is 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one is CC(C)Oc1ccc2nc(COc3ccc(Cc4sc(=O)n(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4O)cc3)n(C)c2n1.
What is the InChIKey of 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one?
The InChIKey is PSZAYPFDZYHDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O4S/c1-27(2)48-36-24-23-33-37(42-36)43(3)35(41-33)26-47-32-21-19-28(20-22-32)25-34-38(45)44(39(46)49-34)40(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-24,27,45H,25-26H2,1-3H3.
What are the key properties of 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one has a molecular weight of 668.82 g/mol, XLogP of 7.69, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one is sourced from PubChem (CID 54206680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).